(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

C23H22FN3O — CID 134808798

IUPAC(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22FN3O/c24-20-10-8-18(9-11-20)22-13-19(23(28)26-21-7-4-12-25-14-21)16-27(22)15-17-5-2-1-3-6-17/h1-12,14,19,22H,13,15-16H2,(H,26,28)/t19-,22+/m1/s1
InChIKeyLAUKJXZWRCJWGF-KNQAVFIVSA-N
MW375.45 g/mol
LogP4.42
Rot. Bonds5

About (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide

(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 134808798) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID134808798
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22FN3O/c24-20-10-8-18(9-11-20)22-13-19(23(28)26-21-7-4-12-25-14-21)16-27(22)15-17-5-2-1-3-6-17/h1-12,14,19,22H,13,15-16H2,(H,26,28)/t19-,22+/m1/s1
InChIKeyLAUKJXZWRCJWGF-KNQAVFIVSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 134805383
CID 134807834
CID 134807834
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 40921983
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 134809682
(1S,5R,6R)-3-[(4-fluorophenyl)methyl]-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133142629
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
CID 134810124
CID 134810124
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide (CID 134808798) is (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cccnc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C1.
What is the InChIKey of (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LAUKJXZWRCJWGF-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-20-10-8-18(9-11-20)22-13-19(23(28)26-21-7-4-12-25-14-21)16-27(22)15-17-5-2-1-3-6-17/h1-12,14,19,22H,13,15-16H2,(H,26,28)/t19-,22+/m1/s1.
What are the key properties of (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide?
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134808798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).