4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide

C16H18ClN3OS — CID 86917672

IUPAC4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H18ClN3OS/c17-12-5-6-18-13(10-12)16(21)19-11-14(15-4-3-9-22-15)20-7-1-2-8-20/h3-6,9-10,14H,1-2,7-8,11H2,(H,19,21)
InChIKeyRJZPFOJQINHAJU-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide

4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 86917672) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID86917672
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cc(Cl)ccn1
InChIInChI=1S/C16H18ClN3OS/c17-12-5-6-18-13(10-12)16(21)19-11-14(15-4-3-9-22-15)20-7-1-2-8-20/h3-6,9-10,14H,1-2,7-8,11H2,(H,19,21)
InChIKeyRJZPFOJQINHAJU-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-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

Related Compounds

3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
4-chloro-2-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55686900
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
6-chloro-2-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]quinoline-3-carboxamide
CID 39987741
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 86917672) is 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide is O=C(NCC(c1cccs1)N1CCCC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is RJZPFOJQINHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-12-5-6-18-13(10-12)16(21)19-11-14(15-4-3-9-22-15)20-7-1-2-8-20/h3-6,9-10,14H,1-2,7-8,11H2,(H,19,21).
What are the key properties of 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 86917672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).