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

C28H25N3O — CID 156839330

IUPAC(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(30-24-13-7-11-22(17-24)23-12-8-16-29-18-23)27-20-31(25-14-5-2-6-15-25)19-26(27)21-9-3-1-4-10-21/h1-18,26-27H,19-20H2,(H,30,32)/t26-,27+/m0/s1
InChIKeyUJOYGKOPGHDEMC-RRPNLBNLSA-N
MW419.53 g/mol
LogP5.61
Rot. Bonds5

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

(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 156839330) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID156839330
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC Name(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(30-24-13-7-11-22(17-24)23-12-8-16-29-18-23)27-20-31(25-14-5-2-6-15-25)19-26(27)21-9-3-1-4-10-21/h1-18,26-27H,19-20H2,(H,30,32)/t26-,27+/m0/s1
InChIKeyUJOYGKOPGHDEMC-RRPNLBNLSA-N
XLogP5.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(3R,4R)-3-(oxan-4-yl)-4-[(3-pyridin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 166790324
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3S,4R)-1,4-diphenylpyrrolidine-3-carboxylic acid
CID 162471093
3-(4-fluorophenyl)-4-[(3-phenylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 166790625
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
(3R,4S)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 166790427
methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 158312980
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
1-phenyl-2-(3-pyridin-3-ylphenyl)hydrazine
CID 162041560

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (CID 156839330) is (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(-c2cccnc2)c1)[C@@H]1CN(c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UJOYGKOPGHDEMC-RRPNLBNLSA-N. The full InChI is InChI=1S/C28H25N3O/c32-28(30-24-13-7-11-22(17-24)23-12-8-16-29-18-23)27-20-31(25-14-5-2-6-15-25)19-26(27)21-9-3-1-4-10-21/h1-18,26-27H,19-20H2,(H,30,32)/t26-,27+/m0/s1.
What are the key properties of (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156839330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).