3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide

C13H13ClN2O2S — CID 75393355

IUPAC3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NC(CCO)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-10-8-15-5-3-9(10)13(18)16-11(4-6-17)12-2-1-7-19-12/h1-3,5,7-8,11,17H,4,6H2,(H,16,18)
InChIKeyARBBULRTNGKTHA-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.65
Rot. Bonds5

About 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide

3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide (PubChem CID 75393355) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
PubChem CID75393355
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NC(CCO)c1cccs1)c1ccncc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-10-8-15-5-3-9(10)13(18)16-11(4-6-17)12-2-1-7-19-12/h1-3,5,7-8,11,17H,4,6H2,(H,16,18)
InChIKeyARBBULRTNGKTHA-UHFFFAOYSA-N
XLogP2.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66482550
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
CID 75393333
methyl 3-[(4-chloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 81229017
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
CID 105069176
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2-methoxypyridine-3-carboxamide
CID 97235405
5-cyclopropyl-N-(3-hydroxy-1-thiophen-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 139007445
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide (CID 75393355) is 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide is O=C(NC(CCO)c1cccs1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The InChIKey is ARBBULRTNGKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-10-8-15-5-3-9(10)13(18)16-11(4-6-17)12-2-1-7-19-12/h1-3,5,7-8,11,17H,4,6H2,(H,16,18).
What are the key properties of 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 75393355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).