N-(3-aminophenyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 110481304

IUPACN-(3-aminophenyl)pyrrolidine-2-carboxamide
SMILESNc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C11H15N3O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6,12H2,(H,14,15)
InChIKeyQMANSXAFLZBIKA-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.96
Rot. Bonds2

About N-(3-aminophenyl)pyrrolidine-2-carboxamide

N-(3-aminophenyl)pyrrolidine-2-carboxamide (PubChem CID 110481304) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-aminophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)pyrrolidine-2-carboxamide
PubChem CID110481304
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(3-aminophenyl)pyrrolidine-2-carboxamide
SMILESNc1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C11H15N3O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6,12H2,(H,14,15)
InChIKeyQMANSXAFLZBIKA-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)pyrrolidine-2-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

N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)pyrrolidine-2-carboxamide (CID 110481304) is N-(3-aminophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)pyrrolidine-2-carboxamide is Nc1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-(3-aminophenyl)pyrrolidine-2-carboxamide?
The InChIKey is QMANSXAFLZBIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6,12H2,(H,14,15).
What are the key properties of N-(3-aminophenyl)pyrrolidine-2-carboxamide?
N-(3-aminophenyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110481304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).