1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C14H16N4O2 — CID 43183672

IUPAC1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c15-8-10-3-5-11(6-4-10)17-13(19)9-18-7-1-2-12(18)14(16)20/h3-6,12H,1-2,7,9H2,(H2,16,20)(H,17,19)
InChIKeyPFDVZAKJBFIMQG-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.45
Rot. Bonds4

About 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 43183672) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID43183672
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2C(N)=O)cc1
InChIInChI=1S/C14H16N4O2/c15-8-10-3-5-11(6-4-10)17-13(19)9-18-7-1-2-12(18)14(16)20/h3-6,12H,1-2,7,9H2,(H2,16,20)(H,17,19)
InChIKeyPFDVZAKJBFIMQG-UHFFFAOYSA-N
XLogP0.45
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 61372018
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596
(2S)-1-[3-[(4-cyanophenyl)carbamoylamino]propyl]pyrrolidine-2-carboxamide
CID 95760863
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882625
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 43183672) is 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is N#Cc1ccc(NC(=O)CN2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is PFDVZAKJBFIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-8-10-3-5-11(6-4-10)17-13(19)9-18-7-1-2-12(18)14(16)20/h3-6,12H,1-2,7,9H2,(H2,16,20)(H,17,19).
What are the key properties of 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43183672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).