2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide

C20H22N4O — CID 75597941

IUPAC2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2cc(-c3ccccc3)ccc2C#N)C1
InChIInChI=1S/C20H22N4O/c1-14(22)20(25)23-18-9-10-24(13-18)19-11-16(7-8-17(19)12-21)15-5-3-2-4-6-15/h2-8,11,14,18H,9-10,13,22H2,1H3,(H,23,25)
InChIKeyPMVFWMAIMIKIAG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide

2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide (PubChem CID 75597941) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
PubChem CID75597941
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide
SMILESCC(N)C(=O)NC1CCN(c2cc(-c3ccccc3)ccc2C#N)C1
InChIInChI=1S/C20H22N4O/c1-14(22)20(25)23-18-9-10-24(13-18)19-11-16(7-8-17(19)12-21)15-5-3-2-4-6-15/h2-8,11,14,18H,9-10,13,22H2,1H3,(H,23,25)
InChIKeyPMVFWMAIMIKIAG-UHFFFAOYSA-N
XLogP2.27
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide (CID 75597941) is 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide is CC(N)C(=O)NC1CCN(c2cc(-c3ccccc3)ccc2C#N)C1.
What is the InChIKey of 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide?
The InChIKey is PMVFWMAIMIKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(22)20(25)23-18-9-10-24(13-18)19-11-16(7-8-17(19)12-21)15-5-3-2-4-6-15/h2-8,11,14,18H,9-10,13,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide?
2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-cyano-5-phenylphenyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 75597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).