2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide

C12H16Cl2N2O2 — CID 106994116

IUPAC2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
SMILESCCC(CCO)CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-2-8(5-6-17)7-15-12(18)9-3-4-10(13)16-11(9)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18)
InChIKeyNSQFIUIIGGXPMC-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.53
Rot. Bonds6

About 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide

2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide (PubChem CID 106994116) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
PubChem CID106994116
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
SMILESCCC(CCO)CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-2-8(5-6-17)7-15-12(18)9-3-4-10(13)16-11(9)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18)
InChIKeyNSQFIUIIGGXPMC-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2-chloro-N-(2-ethyl-4-hydroxybutyl)-4,6-dimethylpyridine-3-carboxamide
CID 110027836
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 113246368
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide (CID 106994116) is 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide is CCC(CCO)CNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide?
The InChIKey is NSQFIUIIGGXPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-2-8(5-6-17)7-15-12(18)9-3-4-10(13)16-11(9)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,18).
What are the key properties of 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide?
2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 106994116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).