2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

C19H20N4O — CID 56898054

IUPAC2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H20N4O/c20-13-16-9-4-10-21-19(16)22-17-12-18(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22)
InChIKeyCUKIPGLBWFVOBM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.60
Rot. Bonds6

About 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile

2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 56898054) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID56898054
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C19H20N4O/c20-13-16-9-4-10-21-19(16)22-17-12-18(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22)
InChIKeyCUKIPGLBWFVOBM-UHFFFAOYSA-N
XLogP2.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 95726447
6-[[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 95712148
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 42311318

Frequently Asked Questions

What is the IUPAC name of 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile (CID 56898054) is 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is CUKIPGLBWFVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-13-16-9-4-10-21-19(16)22-17-12-18(24)23(14-17)11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,17H,5,8,11-12,14H2,(H,21,22).
What are the key properties of 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile?
2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 56898054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).