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

C15H13N5O — CID 39890492

IUPACN-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1
InChIInChI=1S/C15H13N5O/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20/h2-10H,1H3,(H,19,21)
InChIKeyGHXIKNJKBYBJPU-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

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

N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 39890492) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID39890492
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1
InChIInChI=1S/C15H13N5O/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20/h2-10H,1H3,(H,19,21)
InChIKeyGHXIKNJKBYBJPU-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

ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 46993374
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 156586925
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 39890492) is N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is GHXIKNJKBYBJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-2-4-13(5-3-11)19-15(21)12-6-7-16-14(8-12)20-9-17-18-10-20/h2-10H,1H3,(H,19,21).
What are the key properties of N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-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)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 39890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).