2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide

C20H25ClN2O2 — CID 165374235

IUPAC2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
SMILESCc1cnc(C(C)(C)C)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-13-12-23-18(20(2,3)4)11-16(13)19(25)22-10-9-17(24)14-5-7-15(21)8-6-14/h5-8,11-12,17,24H,9-10H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyZVYAGZYJJYLUGJ-KRWDZBQOSA-N
MW360.89 g/mol
LogP4.19
Rot. Bonds5

About 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide

2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide (PubChem CID 165374235) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
PubChem CID165374235
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
SMILESCc1cnc(C(C)(C)C)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O2/c1-13-12-23-18(20(2,3)4)11-16(13)19(25)22-10-9-17(24)14-5-7-15(21)8-6-14/h5-8,11-12,17,24H,9-10H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyZVYAGZYJJYLUGJ-KRWDZBQOSA-N
XLogP4.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
CID 166839547
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
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
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 155074261
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-methylpyridine-3-carboxamide
CID 155074311
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
2-tert-butyl-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-methylpyridine-4-carboxamide
CID 165374257
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide (CID 165374235) is 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide is Cc1cnc(C(C)(C)C)cc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide?
The InChIKey is ZVYAGZYJJYLUGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13-12-23-18(20(2,3)4)11-16(13)19(25)22-10-9-17(24)14-5-7-15(21)8-6-14/h5-8,11-12,17,24H,9-10H2,1-4H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide?
2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide is sourced from PubChem (CID 165374235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).