2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide

C12H17ClN2O2 — CID 113497559

IUPAC2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
SMILESCCC(O)CCNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-10(16)4-5-14-12(17)9-6-8(2)15-11(13)7-9/h6-7,10,16H,3-5H2,1-2H3,(H,14,17)
InChIKeySEWGQMMLHIETPN-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.93
Rot. Bonds5

About 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide (PubChem CID 113497559) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
PubChem CID113497559
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
SMILESCCC(O)CCNC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-3-10(16)4-5-14-12(17)9-6-8(2)15-11(13)7-9/h6-7,10,16H,3-5H2,1-2H3,(H,14,17)
InChIKeySEWGQMMLHIETPN-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide (CID 113497559) is 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide is CCC(O)CCNC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide?
The InChIKey is SEWGQMMLHIETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-10(16)4-5-14-12(17)9-6-8(2)15-11(13)7-9/h6-7,10,16H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113497559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).