4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C15H13N3O — CID 43397555

IUPAC4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-18(11-13-3-2-8-17-10-13)15(19)14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3
InChIKeyLFFCHUPJKKBRRX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.23
Rot. Bonds3

About 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43397555) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43397555
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O/c1-18(11-13-3-2-8-17-10-13)15(19)14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3
InChIKeyLFFCHUPJKKBRRX-UHFFFAOYSA-N
XLogP2.23
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 43397555) is 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LFFCHUPJKKBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18(11-13-3-2-8-17-10-13)15(19)14-6-4-12(9-16)5-7-14/h2-8,10H,11H2,1H3.
What are the key properties of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43397555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).