1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

C15H18N4O2 — CID 61372018

IUPAC1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O2/c1-17-15(21)13-3-2-8-19(13)10-14(20)18-12-6-4-11(9-16)5-7-12/h4-7,13H,2-3,8,10H2,1H3,(H,17,21)(H,18,20)
InChIKeySHKFHGJGZIAAJY-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.71
Rot. Bonds4

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

1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61372018) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61372018
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H18N4O2/c1-17-15(21)13-3-2-8-19(13)10-14(20)18-12-6-4-11(9-16)5-7-12/h4-7,13H,2-3,8,10H2,1H3,(H,17,21)(H,18,20)
InChIKeySHKFHGJGZIAAJY-UHFFFAOYSA-N
XLogP0.71
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596
N-(4-cyanophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
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N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (CID 61372018) is 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SHKFHGJGZIAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-17-15(21)13-3-2-8-19(13)10-14(20)18-12-6-4-11(9-16)5-7-12/h4-7,13H,2-3,8,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(4-cyanoanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.71, 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]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61372018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).