3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide

C12H17ClN2O2 — CID 71968994

IUPAC3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(2)5-9(16)6-15-12(17)10-3-4-14-7-11(10)13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyKRMLEFLHXUZFST-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.87
Rot. Bonds5

About 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide

3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide (PubChem CID 71968994) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
PubChem CID71968994
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-8(2)5-9(16)6-15-12(17)10-3-4-14-7-11(10)13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyKRMLEFLHXUZFST-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 81233183
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide (CID 71968994) is 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide is CC(C)CC(O)CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The InChIKey is KRMLEFLHXUZFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)5-9(16)6-15-12(17)10-3-4-14-7-11(10)13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 71968994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).