N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

C19H17N5O2 — CID 71977706

IUPACN,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nnc3ccccn23)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12-13-7-3-4-8-14(13)20-18(25)17(12)19(26)23(2)11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyOSOVUIQUVNGMRR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.15
Rot. Bonds3

About N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 71977706) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID71977706
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)N(C)Cc2nnc3ccccn23)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H17N5O2/c1-12-13-7-3-4-8-14(13)20-18(25)17(12)19(26)23(2)11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyOSOVUIQUVNGMRR-UHFFFAOYSA-N
XLogP2.15
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (CID 71977706) is N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is Cc1c(C(=O)N(C)Cc2nnc3ccccn23)c(=O)[nH]c2ccccc12.
What is the InChIKey of N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is OSOVUIQUVNGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-13-7-3-4-8-14(13)20-18(25)17(12)19(26)23(2)11-16-22-21-15-9-5-6-10-24(15)16/h3-10H,11H2,1-2H3,(H,20,25).
What are the key properties of N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 71977706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).