2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide

C16H13N3O2 — CID 16589995

IUPAC2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)19-16(13)21/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyLONZVLBMWXFBHV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.85
Rot. Bonds3

About 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide

2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 16589995) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID16589995
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)19-16(13)21/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyLONZVLBMWXFBHV-UHFFFAOYSA-N
XLogP1.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-[(3,4-dihydroxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731918
N-[(6-methoxy-3-pyridinyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613259
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55485654
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334
2-methyl-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 110698624
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide (CID 16589995) is 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide is O=C(NCc1ccccn1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is LONZVLBMWXFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(18-10-12-6-3-4-8-17-12)13-9-11-5-1-2-7-14(11)19-16(13)21/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide?
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16589995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).