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

C15H12ClN5O — CID 131913057

IUPAC3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccncc3Cl)c2)n[nH]1
InChIInChI=1S/C15H12ClN5O/c1-9-18-14(21-20-9)10-3-2-4-11(7-10)19-15(22)12-5-6-17-8-13(12)16/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyUJTFAMSNXDRYIE-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.08
Rot. Bonds3

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

3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 131913057) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID131913057
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccncc3Cl)c2)n[nH]1
InChIInChI=1S/C15H12ClN5O/c1-9-18-14(21-20-9)10-3-2-4-11(7-10)19-15(22)12-5-6-17-8-13(12)16/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyUJTFAMSNXDRYIE-UHFFFAOYSA-N
XLogP3.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-3-carboxamide
CID 52668615
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
1-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]indole-4-carboxamide
CID 131950587
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
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 119043099
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
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
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (CID 131913057) is 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is Cc1nc(-c2cccc(NC(=O)c3ccncc3Cl)c2)n[nH]1.
What is the InChIKey of 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is UJTFAMSNXDRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-9-18-14(21-20-9)10-3-2-4-11(7-10)19-15(22)12-5-6-17-8-13(12)16/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 131913057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).