3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide

C16H17ClN2O2 — CID 75393333

IUPAC3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)c1ccncc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-14-11-18-9-8-13(14)16(21)19-15(7-4-10-20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,20H,4,7,10H2,(H,19,21)
InChIKeyTZMWGUQNLPXPQI-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.98
Rot. Bonds6

About 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide

3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide (PubChem CID 75393333) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
PubChem CID75393333
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)c1ccncc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-14-11-18-9-8-13(14)16(21)19-15(7-4-10-20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,20H,4,7,10H2,(H,19,21)
InChIKeyTZMWGUQNLPXPQI-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
(2R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750607
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
N-[(1S)-4-hydroxy-1-phenylbutyl]-5-methylpyridine-3-carboxamide
CID 97247823
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide (CID 75393333) is 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide is O=C(NC(CCCO)c1ccccc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide?
The InChIKey is TZMWGUQNLPXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-11-18-9-8-13(14)16(21)19-15(7-4-10-20)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,20H,4,7,10H2,(H,19,21).
What are the key properties of 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide?
3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-1-phenylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 75393333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).