3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C15H15N3O — CID 53016440

IUPAC3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCN(Cc1cccn1C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H15N3O/c1-17-8-4-7-14(17)11-18(2)15(19)13-6-3-5-12(9-13)10-16/h3-9H,11H2,1-2H3
InChIKeyZLVNDLNZZNNYBG-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.17
Rot. Bonds3

About 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 53016440) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID53016440
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCN(Cc1cccn1C)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H15N3O/c1-17-8-4-7-14(17)11-18(2)15(19)13-6-3-5-12(9-13)10-16/h3-9H,11H2,1-2H3
InChIKeyZLVNDLNZZNNYBG-UHFFFAOYSA-N
XLogP2.17
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 53016440) is 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is CN(Cc1cccn1C)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is ZLVNDLNZZNNYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-17-8-4-7-14(17)11-18(2)15(19)13-6-3-5-12(9-13)10-16/h3-9H,11H2,1-2H3.
What are the key properties of 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 53016440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).