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

C11H15ClN2O3 — CID 103877191

IUPAC2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O3/c1-17-7-9(15)3-5-14-11(16)8-2-4-13-10(12)6-8/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyCIJYNHHWAVFVGC-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.86
Rot. Bonds6

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

2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide (PubChem CID 103877191) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
PubChem CID103877191
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H15ClN2O3/c1-17-7-9(15)3-5-14-11(16)8-2-4-13-10(12)6-8/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16)
InChIKeyCIJYNHHWAVFVGC-UHFFFAOYSA-N
XLogP0.86
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide (CID 103877191) is 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide is COCC(O)CCNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The InChIKey is CIJYNHHWAVFVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-17-7-9(15)3-5-14-11(16)8-2-4-13-10(12)6-8/h2,4,6,9,15H,3,5,7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide has a molecular weight of 258.70 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 103877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).