2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide

C13H19ClN2O2 — CID 104955122

IUPAC2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)CC(C)C)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-8(2)4-11(17)7-15-13(18)10-5-9(3)16-12(14)6-10/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyFIHNJWZYJAEWQB-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide (PubChem CID 104955122) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
PubChem CID104955122
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(O)CC(C)C)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-8(2)4-11(17)7-15-13(18)10-5-9(3)16-12(14)6-10/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18)
InChIKeyFIHNJWZYJAEWQB-UHFFFAOYSA-N
XLogP2.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.18
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

3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-chloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103770934
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
3-amino-5-fluoro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 107150575
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide (CID 104955122) is 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCC(O)CC(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide?
The InChIKey is FIHNJWZYJAEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)4-11(17)7-15-13(18)10-5-9(3)16-12(14)6-10/h5-6,8,11,17H,4,7H2,1-3H3,(H,15,18).
What are the key properties of 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 104955122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).