2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide

C12H17ClN2O3 — CID 138018447

IUPAC2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide
SMILESCOCCCCN(C)C(=O)c1cc(Cl)ncc1O
InChIInChI=1S/C12H17ClN2O3/c1-15(5-3-4-6-18-2)12(17)9-7-11(13)14-8-10(9)16/h7-8,16H,3-6H2,1-2H3
InChIKeyFGRGLNKCXNIWON-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.94
Rot. Bonds6

About 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide

2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide (PubChem CID 138018447) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide
PubChem CID138018447
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide
SMILESCOCCCCN(C)C(=O)c1cc(Cl)ncc1O
InChIInChI=1S/C12H17ClN2O3/c1-15(5-3-4-6-18-2)12(17)9-7-11(13)14-8-10(9)16/h7-8,16H,3-6H2,1-2H3
InChIKeyFGRGLNKCXNIWON-UHFFFAOYSA-N
XLogP1.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
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-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-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

4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
CID 63010043
2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
CID 114929181
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
2-chloro-N-methyl-5-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 103771796
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 103747642
4-methoxy-N-(4-methoxybutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 136565417

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide (CID 138018447) is 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide is COCCCCN(C)C(=O)c1cc(Cl)ncc1O.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide?
The InChIKey is FGRGLNKCXNIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-15(5-3-4-6-18-2)12(17)9-7-11(13)14-8-10(9)16/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide?
2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide has a molecular weight of 272.73 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-methoxybutyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 138018447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).