3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

C13H10ClN5O — CID 66484521

IUPAC3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccncc1Cl
InChIInChI=1S/C13H10ClN5O/c14-10-7-15-5-4-9(10)13(20)16-8-12-18-17-11-3-1-2-6-19(11)12/h1-7H,8H2,(H,16,20)
InChIKeyWNKVEIWDFFYHKE-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.71
Rot. Bonds3

About 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 66484521) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID66484521
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccncc1Cl
InChIInChI=1S/C13H10ClN5O/c14-10-7-15-5-4-9(10)13(20)16-8-12-18-17-11-3-1-2-6-19(11)12/h1-7H,8H2,(H,16,20)
InChIKeyWNKVEIWDFFYHKE-UHFFFAOYSA-N
XLogP1.71
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 66483359
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
2-chloro-4-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 29239510
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
8-chloro-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
CID 71708653
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 66484521) is 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1nnc2ccccn12)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WNKVEIWDFFYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-7-15-5-4-9(10)13(20)16-8-12-18-17-11-3-1-2-6-19(11)12/h1-7H,8H2,(H,16,20).
What are the key properties of 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).