N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H15N5O — CID 86764731

IUPACN-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccccc1NC(=O)c1cccn2c(-c3ccncc3)nnc12
InChIInChI=1S/C19H15N5O/c1-13-5-2-3-7-16(13)21-19(25)15-6-4-12-24-17(22-23-18(15)24)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,25)
InChIKeyHFIDQEUVXAEOJW-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.35
Rot. Bonds3

About N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 86764731) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID86764731
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1ccccc1NC(=O)c1cccn2c(-c3ccncc3)nnc12
InChIInChI=1S/C19H15N5O/c1-13-5-2-3-7-16(13)21-19(25)15-6-4-12-24-17(22-23-18(15)24)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,25)
InChIKeyHFIDQEUVXAEOJW-UHFFFAOYSA-N
XLogP3.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 86764731) is N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1ccccc1NC(=O)c1cccn2c(-c3ccncc3)nnc12.
What is the InChIKey of N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is HFIDQEUVXAEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-5-2-3-7-16(13)21-19(25)15-6-4-12-24-17(22-23-18(15)24)14-8-10-20-11-9-14/h2-12H,1H3,(H,21,25).
What are the key properties of N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 86764731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).