(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide

C12H13N3O — CID 104900460

IUPAC(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(16)11-5-2-6-14-11/h1,3-4,7,11,14H,2,5-6H2,(H,15,16)/t11-/m1/s1
InChIKeyNZUOTBMOMNMNRS-LLVKDONJSA-N
MW215.26 g/mol
LogP1.25
Rot. Bonds2

About (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide

(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide (PubChem CID 104900460) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
PubChem CID104900460
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cccc(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(16)11-5-2-6-14-11/h1,3-4,7,11,14H,2,5-6H2,(H,15,16)/t11-/m1/s1
InChIKeyNZUOTBMOMNMNRS-LLVKDONJSA-N
XLogP1.25
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethynylphenyl)azepane-2-carboxamide
CID 64564559
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
(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
N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
CID 110696889
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide (CID 104900460) is (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide is N#Cc1cccc(NC(=O)[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide?
The InChIKey is NZUOTBMOMNMNRS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3O/c13-8-9-3-1-4-10(7-9)15-12(16)11-5-2-6-14-11/h1,3-4,7,11,14H,2,5-6H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104900460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).