2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide

C11H14Cl2N2O3 — CID 110024020

IUPAC2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOCCO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3/c12-9-6-8(7-10(13)15-9)11(17)14-2-1-4-18-5-3-16/h6-7,16H,1-5H2,(H,14,17)
InChIKeyOZLXFSGVGNYOHP-UHFFFAOYSA-N
MW293.15 g/mol
LogP1.52
Rot. Bonds7

About 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide

2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide (PubChem CID 110024020) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
PubChem CID110024020
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCOCCO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3/c12-9-6-8(7-10(13)15-9)11(17)14-2-1-4-18-5-3-16/h6-7,16H,1-5H2,(H,14,17)
InChIKeyOZLXFSGVGNYOHP-UHFFFAOYSA-N
XLogP1.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-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-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
CID 110022221

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide (CID 110024020) is 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide is O=C(NCCCOCCO)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide?
The InChIKey is OZLXFSGVGNYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c12-9-6-8(7-10(13)15-9)11(17)14-2-1-4-18-5-3-16/h6-7,16H,1-5H2,(H,14,17).
What are the key properties of 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide?
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide has a molecular weight of 293.15 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 110024020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).