1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide

C16H13N3O2 — CID 5297270

IUPAC1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccn2)c(=O)c2ccccc21
InChIInChI=1S/C16H13N3O2/c1-19-10-12(15(20)11-6-2-3-7-13(11)19)16(21)18-14-8-4-5-9-17-14/h2-10H,1H3,(H,17,18,21)
InChIKeyKUIWFFQEYYZVNU-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.19
Rot. Bonds2

About 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide

1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide (PubChem CID 5297270) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
PubChem CID5297270
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccn2)c(=O)c2ccccc21
InChIInChI=1S/C16H13N3O2/c1-19-10-12(15(20)11-6-2-3-7-13(11)19)16(21)18-14-8-4-5-9-17-14/h2-10H,1H3,(H,17,18,21)
InChIKeyKUIWFFQEYYZVNU-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide (CID 5297270) is 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide is Cn1cc(C(=O)Nc2ccccn2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
The InChIKey is KUIWFFQEYYZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19-10-12(15(20)11-6-2-3-7-13(11)19)16(21)18-14-8-4-5-9-17-14/h2-10H,1H3,(H,17,18,21).
What are the key properties of 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide?
1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 5297270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).