3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

C25H24FN3O2 — CID 110230989

IUPAC3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C25H24FN3O2/c1-27-24(31)25(13-15-29(17-25)23(30)22-12-6-7-14-28-22)16-18-8-2-3-9-19(18)20-10-4-5-11-21(20)26/h2-12,14H,13,15-17H2,1H3,(H,27,31)
InChIKeyVEAGMHVOWRRPLF-UHFFFAOYSA-N
MW417.48 g/mol
LogP3.71
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110230989) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110230989
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C25H24FN3O2/c1-27-24(31)25(13-15-29(17-25)23(30)22-12-6-7-14-28-22)16-18-8-2-3-9-19(18)20-10-4-5-11-21(20)26/h2-12,14H,13,15-17H2,1H3,(H,27,31)
InChIKeyVEAGMHVOWRRPLF-UHFFFAOYSA-N
XLogP3.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 92620703
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-prop-2-enyl-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110232781
(3R)-3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(1-methylpyrazole-3-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579949
(3R)-1-acetyl-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92592194
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
(3S)-N-prop-2-ynyl-1-(pyridine-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92547962
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
(3S)-N-ethyl-1-(pyridine-2-carbonyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592082
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
3-[(2-phenylphenyl)methyl]-N-prop-2-enyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 110232033

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (CID 110230989) is 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is VEAGMHVOWRRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-27-24(31)25(13-15-29(17-25)23(30)22-12-6-7-14-28-22)16-18-8-2-3-9-19(18)20-10-4-5-11-21(20)26/h2-12,14H,13,15-17H2,1H3,(H,27,31).
What are the key properties of 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110230989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).