2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide

C17H18N6O — CID 52668615

IUPAC2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccnc3N(C)C)c2)n[nH]1
InChIInChI=1S/C17H18N6O/c1-11-19-15(22-21-11)12-6-4-7-13(10-12)20-17(24)14-8-5-9-18-16(14)23(2)3/h4-10H,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyAMLZFZCJQCBNKT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.49
Rot. Bonds4

About 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 52668615) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID52668615
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccnc3N(C)C)c2)n[nH]1
InChIInChI=1S/C17H18N6O/c1-11-19-15(22-21-11)12-6-4-7-13(10-12)20-17(24)14-8-5-9-18-16(14)23(2)3/h4-10H,1-3H3,(H,20,24)(H,19,21,22)
InChIKeyAMLZFZCJQCBNKT-UHFFFAOYSA-N
XLogP2.49
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-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

3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 131913057
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131900628

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide (CID 52668615) is 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(NC(=O)c3cccnc3N(C)C)c2)n[nH]1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is AMLZFZCJQCBNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-11-19-15(22-21-11)12-6-4-7-13(10-12)20-17(24)14-8-5-9-18-16(14)23(2)3/h4-10H,1-3H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52668615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).