N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C21H17N5O — CID 55363226

IUPACN-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H17N5O/c1-15-12-13-22-18(14-15)23-21(27)19-24-20(16-8-4-2-5-9-16)26(25-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,27)
InChIKeyNKVRMXJYMQDKKZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.89
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55363226) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55363226
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C21H17N5O/c1-15-12-13-22-18(14-15)23-21(27)19-24-20(16-8-4-2-5-9-16)26(25-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,27)
InChIKeyNKVRMXJYMQDKKZ-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
N-(2-methoxy-5-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799422
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
N-(5-fluoro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4799414
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-(3-chloro-2-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745463
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55363226) is N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1ccnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NKVRMXJYMQDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-15-12-13-22-18(14-15)23-21(27)19-24-20(16-8-4-2-5-9-16)26(25-19)17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23,27).
What are the key properties of N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55363226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).