N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide

C16H19N3OS — CID 47037140

IUPACN-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-15(6-5-13-7-11-21-12-13)18-14-4-3-8-17-16(14)19-9-1-2-10-19/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20)
InChIKeyGPVJUWAAGCCSNG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.31
Rot. Bonds5

About N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide

N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide (PubChem CID 47037140) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide
PubChem CID47037140
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-15(6-5-13-7-11-21-12-13)18-14-4-3-8-17-16(14)19-9-1-2-10-19/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20)
InChIKeyGPVJUWAAGCCSNG-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide 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 N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide (CID 47037140) is N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1cccnc1N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide?
The InChIKey is GPVJUWAAGCCSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(6-5-13-7-11-21-12-13)18-14-4-3-8-17-16(14)19-9-1-2-10-19/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20).
What are the key properties of N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide?
N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide has a molecular weight of 301.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-3-pyridinyl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 47037140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).