4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide

C17H18N4O — CID 11220125

IUPAC4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H18N4O/c18-11-13-10-15(19-12-13)17(22)20-14-6-2-3-7-16(14)21-8-4-1-5-9-21/h2-3,6-7,10,12,19H,1,4-5,8-9H2,(H,20,22)
InChIKeyHTUUAZYBRLAVBE-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.13
Rot. Bonds3

About 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide

4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 11220125) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID11220125
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C17H18N4O/c18-11-13-10-15(19-12-13)17(22)20-14-6-2-3-7-16(14)21-8-4-1-5-9-21/h2-3,6-7,10,12,19H,1,4-5,8-9H2,(H,20,22)
InChIKeyHTUUAZYBRLAVBE-UHFFFAOYSA-N
XLogP3.13
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide 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-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide (CID 11220125) is 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide is N#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HTUUAZYBRLAVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-11-13-10-15(19-12-13)17(22)20-14-6-2-3-7-16(14)21-8-4-1-5-9-21/h2-3,6-7,10,12,19H,1,4-5,8-9H2,(H,20,22).
What are the key properties of 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide?
4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11220125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).