(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

C29H27N3O — CID 156839438

IUPAC(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C29H27N3O/c33-29(31-26-15-7-13-24(17-26)25-14-8-16-30-18-25)28-21-32(19-22-9-3-1-4-10-22)20-27(28)23-11-5-2-6-12-23/h1-18,27-28H,19-21H2,(H,31,33)/t27-,28+/m0/s1
InChIKeyZSBOFOUCAXOGKD-WUFINQPMSA-N
MW433.56 g/mol
LogP5.60
Rot. Bonds6

About (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 156839438) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID156839438
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC Name(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C29H27N3O/c33-29(31-26-15-7-13-24(17-26)25-14-8-16-30-18-25)28-21-32(19-22-9-3-1-4-10-22)20-27(28)23-11-5-2-6-12-23/h1-18,27-28H,19-21H2,(H,31,33)/t27-,28+/m0/s1
InChIKeyZSBOFOUCAXOGKD-WUFINQPMSA-N
XLogP5.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839330
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 156611571
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 100745479
(3S,4R)-4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70738871
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (CID 156839438) is (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZSBOFOUCAXOGKD-WUFINQPMSA-N. The full InChI is InChI=1S/C29H27N3O/c33-29(31-26-15-7-13-24(17-26)25-14-8-16-30-18-25)28-21-32(19-22-9-3-1-4-10-22)20-27(28)23-11-5-2-6-12-23/h1-18,27-28H,19-21H2,(H,31,33)/t27-,28+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156839438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).