N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C16H19N3O2 — CID 113191706

IUPACN-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2ccccc2C#N)C1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)18-16(21)13-8-15(20)19(10-13)14-7-5-4-6-12(14)9-17/h4-7,11,13H,3,8,10H2,1-2H3,(H,18,21)
InChIKeyJSVKUFOZYVUQLS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.83
Rot. Bonds4

About N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191706) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191706
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(c2ccccc2C#N)C1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)18-16(21)13-8-15(20)19(10-13)14-7-5-4-6-12(14)9-17/h4-7,11,13H,3,8,10H2,1-2H3,(H,18,21)
InChIKeyJSVKUFOZYVUQLS-UHFFFAOYSA-N
XLogP1.83
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
1-(2-cyanophenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191800
methyl 1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694884
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(2-cyanophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113191742
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191852
1-(2-cyanophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191727
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187561
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191706) is N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(c2ccccc2C#N)C1.
What is the InChIKey of N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JSVKUFOZYVUQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11(2)18-16(21)13-8-15(20)19(10-13)14-7-5-4-6-12(14)9-17/h4-7,11,13H,3,8,10H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).