2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide

C14H21ClN2O2 — CID 110027836

IUPAC2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCC(CCO)CNC(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-4-11(5-6-18)8-16-14(19)12-9(2)7-10(3)17-13(12)15/h7,11,18H,4-6,8H2,1-3H3,(H,16,19)
InChIKeyIWWRETPMQJQYTH-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.49
Rot. Bonds6

About 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 110027836) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID110027836
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCCC(CCO)CNC(=O)c1c(C)cc(C)nc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-4-11(5-6-18)8-16-14(19)12-9(2)7-10(3)17-13(12)15/h7,11,18H,4-6,8H2,1-3H3,(H,16,19)
InChIKeyIWWRETPMQJQYTH-UHFFFAOYSA-N
XLogP2.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.49
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

2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
CID 106994116
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027864
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-4,6-dimethylpyridine-3-carboxamide
CID 110028174
N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
CID 112699624
4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053541
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027707
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(4-bromo-2-ethylbutyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114317702
N-(4-bromo-2-ethylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114317795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide (CID 110027836) is 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide is CCC(CCO)CNC(=O)c1c(C)cc(C)nc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is IWWRETPMQJQYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-11(5-6-18)8-16-14(19)12-9(2)7-10(3)17-13(12)15/h7,11,18H,4-6,8H2,1-3H3,(H,16,19).
What are the key properties of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110027836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).