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

C16H13N3O2 — CID 150776765

IUPAC2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C16H13N3O2/c17-15(20)13-8-12-5-1-2-6-14(12)19(16(13)21)10-11-4-3-7-18-9-11/h1-9H,10H2,(H2,17,20)
InChIKeyKBAKFPQNNCYQLM-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.54
Rot. Bonds3

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

2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide (PubChem CID 150776765) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
PubChem CID150776765
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
SMILESNC(=O)c1cc2ccccc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C16H13N3O2/c17-15(20)13-8-12-5-1-2-6-14(12)19(16(13)21)10-11-4-3-7-18-9-11/h1-9H,10H2,(H2,17,20)
InChIKeyKBAKFPQNNCYQLM-UHFFFAOYSA-N
XLogP1.54
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
CID 21260607
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
2-ethenyl-1-(pyridin-3-ylmethyl)indole
CID 138503201
6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
CID 166831507
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226866
1-benzyl-N-(2-carbamoylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620334
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-methyl-1-(pyridin-3-ylmethyl)indole-3-carbohydrazide
CID 91690120
1-benzylindol-2-amine
CID 91418343

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide (CID 150776765) is 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide is NC(=O)c1cc2ccccc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
The InChIKey is KBAKFPQNNCYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-15(20)13-8-12-5-1-2-6-14(12)19(16(13)21)10-11-4-3-7-18-9-11/h1-9H,10H2,(H2,17,20).
What are the key properties of 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide?
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 150776765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).