(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

C14H16FN3O — CID 61164507

IUPAC(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16FN3O/c1-18(14(19)13-3-2-6-17-13)9-11-7-10(8-16)4-5-12(11)15/h4-5,7,13,17H,2-3,6,9H2,1H3/t13-/m0/s1
InChIKeyAOZBBWUGSUZOST-ZDUSSCGKSA-N
MW261.30 g/mol
LogP1.41
Rot. Bonds3

About (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide

(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 61164507) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID61164507
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C14H16FN3O/c1-18(14(19)13-3-2-6-17-13)9-11-7-10(8-16)4-5-12(11)15/h4-5,7,13,17H,2-3,6,9H2,1H3/t13-/m0/s1
InChIKeyAOZBBWUGSUZOST-ZDUSSCGKSA-N
XLogP1.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365245
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 35380970
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2R)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685551

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 61164507) is (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is CN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AOZBBWUGSUZOST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18(14(19)13-3-2-6-17-13)9-11-7-10(8-16)4-5-12(11)15/h4-5,7,13,17H,2-3,6,9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61164507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).