4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

C16H19N3O2 — CID 3359425

IUPAC4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H19N3O2/c1-2-5-15(20)12-10-14(19-11-12)16(21)18-9-7-13-6-3-4-8-17-13/h3-4,6,8,10-11,19H,2,5,7,9H2,1H3,(H,18,21)
InChIKeyJUGAEHLWPWYALR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds7

About 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3359425) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID3359425
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCCCC(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C16H19N3O2/c1-2-5-15(20)12-10-14(19-11-12)16(21)18-9-7-13-6-3-4-8-17-13/h3-4,6,8,10-11,19H,2,5,7,9H2,1H3,(H,18,21)
InChIKeyJUGAEHLWPWYALR-UHFFFAOYSA-N
XLogP2.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butanoyl-N-(2-pyridin-2-ylethyl)-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-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (CID 3359425) is 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is CCCC(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1.
What is the InChIKey of 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JUGAEHLWPWYALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-5-15(20)12-10-14(19-11-12)16(21)18-9-7-13-6-3-4-8-17-13/h3-4,6,8,10-11,19H,2,5,7,9H2,1H3,(H,18,21).
What are the key properties of 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).