N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C15H13N5O — CID 22586962

IUPACN-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-11-5-7-12(8-6-11)18-15(21)13-3-2-4-14(19-13)20-9-16-17-10-20/h2-10H,1H3,(H,18,21)
InChIKeyUKPFCJHRPVBFNP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 22586962) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID22586962
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1
InChIInChI=1S/C15H13N5O/c1-11-5-7-12(8-6-11)18-15(21)13-3-2-4-14(19-13)20-9-16-17-10-20/h2-10H,1H3,(H,18,21)
InChIKeyUKPFCJHRPVBFNP-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 131933497
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
N-(1-methylimidazol-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134707369
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 22586962) is N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UKPFCJHRPVBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-5-7-12(8-6-11)18-15(21)13-3-2-4-14(19-13)20-9-16-17-10-20/h2-10H,1H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 22586962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).