(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide

C13H19N3O — CID 113297589

IUPAC(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H19N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h3,5-6,9,12,14H,4,7-8H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyWNLCIFDLJJBAQD-LBPRGKRZSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds3

About (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide (PubChem CID 113297589) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
PubChem CID113297589
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H19N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h3,5-6,9,12,14H,4,7-8H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyWNLCIFDLJJBAQD-LBPRGKRZSA-N
XLogP1.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-methylpiperidine-3-carboxamide
CID 115377873
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide (CID 113297589) is (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide is CN(C)c1cccc(NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WNLCIFDLJJBAQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)11-6-3-5-10(9-11)15-13(17)12-7-4-8-14-12/h3,5-6,9,12,14H,4,7-8H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 113297589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).