TL;DR: Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo- (CAS 109493-24-5) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-3,7-dimethyl-4-oxo-N-prop-2-enyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxamide
Also Known As: Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo-, 1-Benzyl-3,7-dimethyl-4-oxo-N-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, 1-benzyl-3,7-dimethyl-4-oxo-N-prop-2-enyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-6-carboxamide
| Molecular Formula | C20H20N4O2S |
| Molecular Weight | 380.1307 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1307 Da |
| Heavy Atoms | 27 |
| Complexity | 605.0 |
| SMILES | CC1=C(C=C2C(=N1)N(C(=S)N(C2=O)C)CC3=CC=CC=C3)C(=O)NCC=C |
| InChIKey | VHCRRXXNWWLRBL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo-. Following Lipinski's Rule of Five, Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo- is 109493-24-5.
The molecular formula of Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo- is C20H20N4O2S.
The molecular weight of Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo- is 380.1307 g/mol.
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