4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide

C13H10N4O — CID 115116827

IUPAC4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(C#N)ccn1)c1ccccn1
InChIInChI=1S/C13H10N4O/c1-17(12-4-2-3-6-16-12)13(18)11-8-10(9-14)5-7-15-11/h2-8H,1H3
InChIKeyKINUUYHBSNYQCY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.62
Rot. Bonds2

About 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide

4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 115116827) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID115116827
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(C#N)ccn1)c1ccccn1
InChIInChI=1S/C13H10N4O/c1-17(12-4-2-3-6-16-12)13(18)11-8-10(9-14)5-7-15-11/h2-8H,1H3
InChIKeyKINUUYHBSNYQCY-UHFFFAOYSA-N
XLogP1.62
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116809
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-amino-N,6-dimethyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 114220181
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide
CID 110723084
1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
CID 62151478
N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
CID 141014022

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide (CID 115116827) is 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide is CN(C(=O)c1cc(C#N)ccn1)c1ccccn1.
What is the InChIKey of 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is KINUUYHBSNYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c1-17(12-4-2-3-6-16-12)13(18)11-8-10(9-14)5-7-15-11/h2-8H,1H3.
What are the key properties of 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 115116827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).