(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C23H22FN3O — CID 42518874

IUPAC(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C23H22FN3O/c24-20-6-1-5-19(14-20)18-8-10-21(11-9-18)26-23(28)22-7-3-13-27(22)16-17-4-2-12-25-15-17/h1-2,4-6,8-12,14-15,22H,3,7,13,16H2,(H,26,28)/t22-/m0/s1
InChIKeyIBXXWOLWYGDUPB-QFIPXVFZSA-N
MW375.45 g/mol
LogP4.49
Rot. Bonds5

About (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 42518874) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID42518874
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN1Cc1cccnc1
InChIInChI=1S/C23H22FN3O/c24-20-6-1-5-19(14-20)18-8-10-21(11-9-18)26-23(28)22-7-3-13-27(22)16-17-4-2-12-25-15-17/h1-2,4-6,8-12,14-15,22H,3,7,13,16H2,(H,26,28)/t22-/m0/s1
InChIKeyIBXXWOLWYGDUPB-QFIPXVFZSA-N
XLogP4.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45178841
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 45212909
(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
N-[3-(4-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 45177772
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 42518874) is (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN1Cc1cccnc1.
What is the InChIKey of (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is IBXXWOLWYGDUPB-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-20-6-1-5-19(14-20)18-8-10-21(11-9-18)26-23(28)22-7-3-13-27(22)16-17-4-2-12-25-15-17/h1-2,4-6,8-12,14-15,22H,3,7,13,16H2,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42518874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).