2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile

C14H20N4O — CID 112685374

IUPAC2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCC(=O)N2CCCC2)c1C
InChIInChI=1S/C14H20N4O/c1-10-11(2)18(14(16)12(10)9-15)8-5-13(19)17-6-3-4-7-17/h3-8,16H2,1-2H3
InChIKeyLSCOOHKHLSOYED-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile (PubChem CID 112685374) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile
PubChem CID112685374
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile
SMILESCc1c(C#N)c(N)n(CCC(=O)N2CCCC2)c1C
InChIInChI=1S/C14H20N4O/c1-10-11(2)18(14(16)12(10)9-15)8-5-13(19)17-6-3-4-7-17/h3-8,16H2,1-2H3
InChIKeyLSCOOHKHLSOYED-UHFFFAOYSA-N
XLogP1.57
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-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-amino-1-(2,2-difluoroethyl)-4,5-dimethylpyrrole-3-carbonitrile
CID 115408294
2-amino-4,5-dimethyl-1-(3-propoxypropyl)pyrrole-3-carbonitrile
CID 82947324
2-amino-4,5-dimethyl-1-(2-phenoxyethyl)pyrrole-3-carbonitrile
CID 54949070
3-amino-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384090
3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384118
4-(azepan-1-yl)-4-oxobutanenitrile
CID 82111512
2-amino-4,5-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrole-3-carbonitrile
CID 62847238
1,5-dimethyl-4-[[(3-oxo-3-piperidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584427
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
2-amino-3-(3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile
CID 57308825
2-amino-1-[(2,4-dichlorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 71670443

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile (CID 112685374) is 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile is Cc1c(C#N)c(N)n(CCC(=O)N2CCCC2)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile?
The InChIKey is LSCOOHKHLSOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-11(2)18(14(16)12(10)9-15)8-5-13(19)17-6-3-4-7-17/h3-8,16H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 112685374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).