2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide

C19H17N5O2 — CID 51091181

IUPAC2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCn2nc3ccccn3c2=O)c2ccccc2n1
InChIInChI=1S/C19H17N5O2/c1-13-12-15(14-6-2-3-7-16(14)21-13)18(25)20-9-11-24-19(26)23-10-5-4-8-17(23)22-24/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyWWZNZCUWVINYGW-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.78
Rot. Bonds4

About 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide

2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 51091181) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID51091181
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCn2nc3ccccn3c2=O)c2ccccc2n1
InChIInChI=1S/C19H17N5O2/c1-13-12-15(14-6-2-3-7-16(14)21-13)18(25)20-9-11-24-19(26)23-10-5-4-8-17(23)22-24/h2-8,10,12H,9,11H2,1H3,(H,20,25)
InChIKeyWWZNZCUWVINYGW-UHFFFAOYSA-N
XLogP1.78
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55862999
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
CID 51094949
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
CID 5300704
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide (CID 51091181) is 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCn2nc3ccccn3c2=O)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is WWZNZCUWVINYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-13-12-15(14-6-2-3-7-16(14)21-13)18(25)20-9-11-24-19(26)23-10-5-4-8-17(23)22-24/h2-8,10,12H,9,11H2,1H3,(H,20,25).
What are the key properties of 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide?
2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 51091181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).