2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide

C13H16N4O — CID 70202184

IUPAC2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
SMILESN#Cc1ccccc1N(CC(N)=O)C1CCNC1
InChIInChI=1S/C13H16N4O/c14-7-10-3-1-2-4-12(10)17(9-13(15)18)11-5-6-16-8-11/h1-4,11,16H,5-6,8-9H2,(H2,15,18)
InChIKeyABYBKKDJBXVPNI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.21
Rot. Bonds4

About 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide

2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide (PubChem CID 70202184) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide.

Molecular Properties

Compound Name2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
PubChem CID70202184
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
SMILESN#Cc1ccccc1N(CC(N)=O)C1CCNC1
InChIInChI=1S/C13H16N4O/c14-7-10-3-1-2-4-12(10)17(9-13(15)18)11-5-6-16-8-11/h1-4,11,16H,5-6,8-9H2,(H2,15,18)
InChIKeyABYBKKDJBXVPNI-UHFFFAOYSA-N
XLogP0.21
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 107118948
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]benzoate
CID 70202731
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205910
2-[cyclopropyl(ethyl)amino]benzonitrile
CID 43264326
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
3-(N-pyrrolidin-3-ylanilino)propanenitrile
CID 79468711
2-[(4-aminophenyl)methyl-cyclopropylamino]benzonitrile
CID 60876666
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide?
The IUPAC name of 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide (CID 70202184) is 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide.
What is the SMILES notation for 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide?
The canonical SMILES for 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide is N#Cc1ccccc1N(CC(N)=O)C1CCNC1.
What is the InChIKey of 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide?
The InChIKey is ABYBKKDJBXVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-7-10-3-1-2-4-12(10)17(9-13(15)18)11-5-6-16-8-11/h1-4,11,16H,5-6,8-9H2,(H2,15,18).
What are the key properties of 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide?
2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide has a molecular weight of 244.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide is sourced from PubChem (CID 70202184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).