1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide

C18H15ClN4O2 — CID 7598099

IUPAC1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C18H15ClN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24)
InChIKeyCGLHBALDKCBNRO-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.90
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7598099) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7598099
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1
InChIInChI=1S/C18H15ClN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24)
InChIKeyCGLHBALDKCBNRO-UHFFFAOYSA-N
XLogP2.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7597790
1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598102
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598774
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598234
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
1-[(4-chlorophenyl)methyl]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 7598034

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide (CID 7598099) is 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide is Cc1ccnc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)n1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is CGLHBALDKCBNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).