N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C15H13N5O — CID 1478849

IUPACN-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H13N5O/c1-11-4-2-3-5-13(11)19-15(21)12-6-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21)
InChIKeyHQLRXDLXEAUGCZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 1478849) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID1478849
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H13N5O/c1-11-4-2-3-5-13(11)19-15(21)12-6-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21)
InChIKeyHQLRXDLXEAUGCZ-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

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone
CID 970375
CU-CPT-8m
CID 15042086
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
US10774086, Example 2
CID 134551579
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
2-amino-N-(pyridin-2-yl)benzamide
CID 276325
3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11517595
3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11538995
3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11618330
3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]amino}-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11662276

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 1478849) is N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is HQLRXDLXEAUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-4-2-3-5-13(11)19-15(21)12-6-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-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-(2-methylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1478849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).