N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide

C19H23ClN2O2 — CID 166839547

IUPACN-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(C)C)nc1C(=O)NCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-12(2)16-9-4-13(3)18(22-16)19(24)21-11-10-17(23)14-5-7-15(20)8-6-14/h4-9,12,17,23H,10-11H2,1-3H3,(H,21,24)
InChIKeyZMJLXVVIZRWCJS-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.02
Rot. Bonds6

About N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide

N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide (PubChem CID 166839547) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
PubChem CID166839547
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(C)C)nc1C(=O)NCCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-12(2)16-9-4-13(3)18(22-16)19(24)21-11-10-17(23)14-5-7-15(20)8-6-14/h4-9,12,17,23H,10-11H2,1-3H3,(H,21,24)
InChIKeyZMJLXVVIZRWCJS-UHFFFAOYSA-N
XLogP4.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-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-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
CID 165374235
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
CID 150485823
1-(4-chlorophenyl)-N-(3-hydroxybutyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 111433492
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 155074261
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046723
N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 166046707
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
CID 164740549

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide (CID 166839547) is N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide is Cc1ccc(C(C)C)nc1C(=O)NCCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide?
The InChIKey is ZMJLXVVIZRWCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12(2)16-9-4-13(3)18(22-16)19(24)21-11-10-17(23)14-5-7-15(20)8-6-14/h4-9,12,17,23H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide?
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 166839547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).