N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C13H17N3O2 — CID 60711040

IUPACN-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-11/h2,4-5,8,11,15H,3,6-7H2,1H3,(H,14,17)(H,16,18)
InChIKeyWQFMHKOZIYUETL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.74
Rot. Bonds3

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

N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60711040) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60711040
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C13H17N3O2/c1-14-12(17)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-11/h2,4-5,8,11,15H,3,6-7H2,1H3,(H,14,17)(H,16,18)
InChIKeyWQFMHKOZIYUETL-UHFFFAOYSA-N
XLogP0.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 60711040) is N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CNC(=O)c1cccc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is WQFMHKOZIYUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-12(17)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-11/h2,4-5,8,11,15H,3,6-7H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60711040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).