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

C13H10FN5O — CID 115497637

IUPAC6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cccc(F)n1
InChIInChI=1S/C13H10FN5O/c14-10-5-3-4-9(16-10)13(20)15-8-12-18-17-11-6-1-2-7-19(11)12/h1-7H,8H2,(H,15,20)
InChIKeyQKKIHUWTLYXPJH-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.19
Rot. Bonds3

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

6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 115497637) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID115497637
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cccc(F)n1
InChIInChI=1S/C13H10FN5O/c14-10-5-3-4-9(16-10)13(20)15-8-12-18-17-11-6-1-2-7-19(11)12/h1-7H,8H2,(H,15,20)
InChIKeyQKKIHUWTLYXPJH-UHFFFAOYSA-N
XLogP1.19
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 78813569
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazole-4-carboxamide
CID 8834493
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 75388974
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 115497637) is 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1nnc2ccccn12)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is QKKIHUWTLYXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-10-5-3-4-9(16-10)13(20)15-8-12-18-17-11-6-1-2-7-19(11)12/h1-7H,8H2,(H,15,20).
What are the key properties of 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide?
6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).