(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C14H17N3O — CID 104900946

IUPAC(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H17N3O/c1-17(14(18)13-6-3-7-16-13)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13,16H,3,6-7,10H2,1H3/t13-/m1/s1
InChIKeyGMSRSXCXJUWYGL-CYBMUJFWSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds3

About (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 104900946) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID104900946
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H17N3O/c1-17(14(18)13-6-3-7-16-13)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13,16H,3,6-7,10H2,1H3/t13-/m1/s1
InChIKeyGMSRSXCXJUWYGL-CYBMUJFWSA-N
XLogP1.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
N-[(3-cyanophenyl)methyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104519281
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
2-[(3-cyanophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875201
(2R,3S)-N-[(3-cyanophenyl)methyl]-2-ethyl-N-methyloxane-3-carboxamide
CID 129492759

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 104900946) is (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GMSRSXCXJUWYGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(14(18)13-6-3-7-16-13)10-12-5-2-4-11(8-12)9-15/h2,4-5,8,13,16H,3,6-7,10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 104900946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).