1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H18N4O — CID 106317647

IUPAC1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H18N4O/c1-14(13(19)17-2)5-6-18(9-14)12-7-10(8-15)3-4-11(12)16/h3-4,7H,5-6,9,16H2,1-2H3,(H,17,19)
InChIKeyMXXKNUGYWYNKNQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.10
Rot. Bonds2

About 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317647) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317647
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H18N4O/c1-14(13(19)17-2)5-6-18(9-14)12-7-10(8-15)3-4-11(12)16/h3-4,7H,5-6,9,16H2,1-2H3,(H,17,19)
InChIKeyMXXKNUGYWYNKNQ-UHFFFAOYSA-N
XLogP1.10
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide 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

1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150508
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628
1-[(4-cyano-2-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150947
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
1-(4-amino-5-carbamoyl-2-fluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321402
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317647) is 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cc(C#N)ccc2N)C1.
What is the InChIKey of 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MXXKNUGYWYNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(13(19)17-2)5-6-18(9-14)12-7-10(8-15)3-4-11(12)16/h3-4,7H,5-6,9,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).