4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide

C17H12N4O — CID 145494250

IUPAC4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide
SMILESN#Cc1cn(-c2ccc(C(N)=O)cc2)cc1-c1ccncc1
InChIInChI=1S/C17H12N4O/c18-9-14-10-21(11-16(14)12-5-7-20-8-6-12)15-3-1-13(2-4-15)17(19)22/h1-8,10-11H,(H2,19,22)
InChIKeyRBYLWJGHWFBOLW-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.51
Rot. Bonds3

About 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide

4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide (PubChem CID 145494250) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide
PubChem CID145494250
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide
SMILESN#Cc1cn(-c2ccc(C(N)=O)cc2)cc1-c1ccncc1
InChIInChI=1S/C17H12N4O/c18-9-14-10-21(11-16(14)12-5-7-20-8-6-12)15-3-1-13(2-4-15)17(19)22/h1-8,10-11H,(H2,19,22)
InChIKeyRBYLWJGHWFBOLW-UHFFFAOYSA-N
XLogP2.51
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)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 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide?
The IUPAC name of 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide (CID 145494250) is 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide.
What is the SMILES notation for 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide?
The canonical SMILES for 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide is N#Cc1cn(-c2ccc(C(N)=O)cc2)cc1-c1ccncc1.
What is the InChIKey of 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide?
The InChIKey is RBYLWJGHWFBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c18-9-14-10-21(11-16(14)12-5-7-20-8-6-12)15-3-1-13(2-4-15)17(19)22/h1-8,10-11H,(H2,19,22).
What are the key properties of 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide?
4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-pyridin-4-ylpyrrol-1-yl)benzamide is sourced from PubChem (CID 145494250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).