6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide

C11H15ClN2O2 — CID 107317157

IUPAC6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
SMILESO=C(NCCCCCO)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O2/c12-10-6-4-5-9(14-10)11(16)13-7-2-1-3-8-15/h4-6,15H,1-3,7-8H2,(H,13,16)
InChIKeyKPXCBRJKYDPCAG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.63
Rot. Bonds6

About 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide

6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide (PubChem CID 107317157) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
PubChem CID107317157
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
SMILESO=C(NCCCCCO)c1cccc(Cl)n1
InChIInChI=1S/C11H15ClN2O2/c12-10-6-4-5-9(14-10)11(16)13-7-2-1-3-8-15/h4-6,15H,1-3,7-8H2,(H,13,16)
InChIKeyKPXCBRJKYDPCAG-UHFFFAOYSA-N
XLogP1.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide (CID 107317157) is 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide is O=C(NCCCCCO)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide?
The InChIKey is KPXCBRJKYDPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-10-6-4-5-9(14-10)11(16)13-7-2-1-3-8-15/h4-6,15H,1-3,7-8H2,(H,13,16).
What are the key properties of 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide?
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide is sourced from PubChem (CID 107317157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).