N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide

C18H23N3O2 — CID 56791127

IUPACN-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CC(O)CC2C2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c19-11-13-5-4-8-15(9-13)20-18(23)21-12-16(22)10-17(21)14-6-2-1-3-7-14/h4-5,8-9,14,16-17,22H,1-3,6-7,10,12H2,(H,20,23)
InChIKeyJJMSOPQCPRUXGO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds2

About N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide

N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide (PubChem CID 56791127) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide
PubChem CID56791127
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CC(O)CC2C2CCCCC2)c1
InChIInChI=1S/C18H23N3O2/c19-11-13-5-4-8-15(9-13)20-18(23)21-12-16(22)10-17(21)14-6-2-1-3-7-14/h4-5,8-9,14,16-17,22H,1-3,6-7,10,12H2,(H,20,23)
InChIKeyJJMSOPQCPRUXGO-UHFFFAOYSA-N
XLogP3.11
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95628343
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-2-cycloheptylacetamide
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N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
1-(3-cyanophenyl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 94414975
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
CID 112989923
[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
N-(3-cyanophenyl)-2-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126807058

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide (CID 56791127) is N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide is N#Cc1cccc(NC(=O)N2CC(O)CC2C2CCCCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide?
The InChIKey is JJMSOPQCPRUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-11-13-5-4-8-15(9-13)20-18(23)21-12-16(22)10-17(21)14-6-2-1-3-7-14/h4-5,8-9,14,16-17,22H,1-3,6-7,10,12H2,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide?
N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-cyclohexyl-4-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 56791127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).