1-benzyl-N-methyl-6-oxopyridine-3-carboxamide

C14H14N2O2 — CID 47394458

IUPAC1-benzyl-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-15-14(18)12-7-8-13(17)16(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyHKTUSCZNSARQMH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.26
Rot. Bonds3

About 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide

1-benzyl-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 47394458) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID47394458
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-benzyl-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-15-14(18)12-7-8-13(17)16(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyHKTUSCZNSARQMH-UHFFFAOYSA-N
XLogP1.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide (CID 47394458) is 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is HKTUSCZNSARQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-15-14(18)12-7-8-13(17)16(10-12)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18).
What are the key properties of 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide?
1-benzyl-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 47394458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).