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

C13H10ClN5O — CID 9021014

IUPAC6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN5O/c14-10-5-4-9(7-15-10)13(20)16-8-12-18-17-11-3-1-2-6-19(11)12/h1-7H,8H2,(H,16,20)
InChIKeyDLWWVMFXNTVKAE-UHFFFAOYSA-N
MW287.71 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide

6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 9021014) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID9021014
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN5O/c14-10-5-4-9(7-15-10)13(20)16-8-12-18-17-11-3-1-2-6-19(11)12/h1-7H,8H2,(H,16,20)
InChIKeyDLWWVMFXNTVKAE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
6-chloro-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 16571776
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
1,3-dimethyl-2,4-dioxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044016
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
3-chloro-4,5-dimethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021133
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 9021014) is 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1nnc2ccccn12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DLWWVMFXNTVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-10-5-4-9(7-15-10)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 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-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 6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 9021014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).