(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H19ClN4O — CID 129391550

IUPAC(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1c1cc(N)c(N)cc1Cl
InChIInChI=1S/C13H19ClN4O/c1-17(2)13(19)11-4-3-5-18(11)12-7-10(16)9(15)6-8(12)14/h6-7,11H,3-5,15-16H2,1-2H3/t11-/m0/s1
InChIKeyYNIUCOSYYUYTJJ-NSHDSACASA-N
MW282.78 g/mol
LogP1.56
Rot. Bonds2

About (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 129391550) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID129391550
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN1c1cc(N)c(N)cc1Cl
InChIInChI=1S/C13H19ClN4O/c1-17(2)13(19)11-4-3-5-18(11)12-7-10(16)9(15)6-8(12)14/h6-7,11H,3-5,15-16H2,1-2H3/t11-/m0/s1
InChIKeyYNIUCOSYYUYTJJ-NSHDSACASA-N
XLogP1.56
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-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

1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
1-(4,6-diamino-3-chloro-2-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103552707
1-(2-amino-5-bromo-4-fluorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 116735536
1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 62500743
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237
1-(5-amino-1H-pyrazol-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 82234963
1-(4-chloro-2-nitrophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032255
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 54934284
1-(3-amino-5-sulfamoylphenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60988372

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 129391550) is (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1CCCN1c1cc(N)c(N)cc1Cl.
What is the InChIKey of (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is YNIUCOSYYUYTJJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-17(2)13(19)11-4-3-5-18(11)12-7-10(16)9(15)6-8(12)14/h6-7,11H,3-5,15-16H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 282.78 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 129391550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).