N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide

C22H17ClN6O2 — CID 146649862

IUPACN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN6O2/c1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17/h2-13H,1H3,(H2,25,26,27,28,30,31)
InChIKeyKOCNOEVFAJBKAK-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide

N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide (PubChem CID 146649862) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
PubChem CID146649862
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC NameN-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN6O2/c1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17/h2-13H,1H3,(H2,25,26,27,28,30,31)
InChIKeyKOCNOEVFAJBKAK-UHFFFAOYSA-N
XLogP4.13
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 146649994
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-4-carboxamide;3-fluoro-N-[5-[(3-fluoro-5-methylpyridine-4-carbonyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-5-methylpyridine-4-carboxamide;N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-3-carboxamide
CID 161064740
N-(5-acetamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 134472153
N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]azetidine-3-carboxamide
CID 146650316
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765954
N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 146650001
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 146650376

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide (CID 146649862) is N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The InChIKey is KOCNOEVFAJBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-14-5-2-3-7-18(14)20(31)26-22-27-21(25-19(30)15-6-4-12-24-13-15)28-29(22)17-10-8-16(23)9-11-17/h2-13H,1H3,(H2,25,26,27,28,30,31).
What are the key properties of N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146649862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).