3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

C23H18N6O2 — CID 71571668

IUPAC3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
InChIInChI=1S/C23H18N6O2/c30-22(26-18-6-4-13-24-15-18)20-8-3-9-21-27-28(23(31)29(20)21)14-12-17-11-10-16-5-1-2-7-19(16)25-17/h1-11,13,15H,12,14H2,(H,26,30)
InChIKeyXHWCTGACJZFILR-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.93
Rot. Bonds5

About 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide

3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (PubChem CID 71571668) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
PubChem CID71571668
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12
InChIInChI=1S/C23H18N6O2/c30-22(26-18-6-4-13-24-15-18)20-8-3-9-21-27-28(23(31)29(20)21)14-12-17-11-10-16-5-1-2-7-19(16)25-17/h1-11,13,15H,12,14H2,(H,26,30)
InChIKeyXHWCTGACJZFILR-UHFFFAOYSA-N
XLogP2.93
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide (CID 71571668) is 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is O=C(Nc1cccnc1)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12.
What is the InChIKey of 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
The InChIKey is XHWCTGACJZFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c30-22(26-18-6-4-13-24-15-18)20-8-3-9-21-27-28(23(31)29(20)21)14-12-17-11-10-16-5-1-2-7-19(16)25-17/h1-11,13,15H,12,14H2,(H,26,30).
What are the key properties of 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide?
3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide is sourced from PubChem (CID 71571668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).