N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C13H13N3O2 — CID 70972246

IUPACN-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2ccccn2)c1
InChIInChI=1S/C13H13N3O2/c1-14-13(18)10-5-6-12(17)16(8-10)9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,14,18)
InChIKeyPFSTZZCXLRHMTD-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.65
Rot. Bonds3

About N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 70972246) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID70972246
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(Cc2ccccn2)c1
InChIInChI=1S/C13H13N3O2/c1-14-13(18)10-5-6-12(17)16(8-10)9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,14,18)
InChIKeyPFSTZZCXLRHMTD-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 70972246) is N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(Cc2ccccn2)c1.
What is the InChIKey of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PFSTZZCXLRHMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-14-13(18)10-5-6-12(17)16(8-10)9-11-4-2-3-7-15-11/h2-8H,9H2,1H3,(H,14,18).
What are the key properties of N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70972246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).