5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide

C18H21ClN2O3 — CID 110002777

IUPAC5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(7-8-22,12-24-2)21-17(23)15-9-14(10-20-11-15)13-3-5-16(19)6-4-13/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,21,23)
InChIKeySWLPVWXFNYCVFN-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.92
Rot. Bonds7

About 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 110002777) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID110002777
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-18(7-8-22,12-24-2)21-17(23)15-9-14(10-20-11-15)13-3-5-16(19)6-4-13/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,21,23)
InChIKeySWLPVWXFNYCVFN-UHFFFAOYSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)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

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119598143
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide (CID 110002777) is 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide is COCC(C)(CCO)NC(=O)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is SWLPVWXFNYCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-18(7-8-22,12-24-2)21-17(23)15-9-14(10-20-11-15)13-3-5-16(19)6-4-13/h3-6,9-11,22H,7-8,12H2,1-2H3,(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110002777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).