6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

C12H17ClN2O2 — CID 65107379

IUPAC6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O2/c1-3-12(17,4-2)8-14-11(16)9-6-5-7-10(13)15-9/h5-7,17H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyZEELEORUWXVGGV-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.02
Rot. Bonds5

About 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (PubChem CID 65107379) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
PubChem CID65107379
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2O2/c1-3-12(17,4-2)8-14-11(16)9-6-5-7-10(13)15-9/h5-7,17H,3-4,8H2,1-2H3,(H,14,16)
InChIKeyZEELEORUWXVGGV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-chloropyridine-2-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 113308451
6-chloro-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 62234225
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
6-[(2-hydroxy-2-propylpentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119186122
6-fluoro-N-(2-hydroxy-2-propylpentyl)pyridine-2-carboxamide
CID 109389045
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 81317367
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 22336276
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (CID 65107379) is 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is CCC(O)(CC)CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The InChIKey is ZEELEORUWXVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-12(17,4-2)8-14-11(16)9-6-5-7-10(13)15-9/h5-7,17H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 65107379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).