(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C24H23N3O2 — CID 92986928

IUPAC(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C24H23N3O2/c28-23(26-17-19-9-6-13-25-16-19)21-12-14-27(24(21)29)22-11-5-4-10-20(22)15-18-7-2-1-3-8-18/h1-11,13,16,21H,12,14-15,17H2,(H,26,28)/t21-/m0/s1
InChIKeyIHAQWKXDSXJNSC-NRFANRHFSA-N
MW385.47 g/mol
LogP3.34
Rot. Bonds6

About (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 92986928) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID92986928
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C24H23N3O2/c28-23(26-17-19-9-6-13-25-16-19)21-12-14-27(24(21)29)22-11-5-4-10-20(22)15-18-7-2-1-3-8-18/h1-11,13,16,21H,12,14-15,17H2,(H,26,28)/t21-/m0/s1
InChIKeyIHAQWKXDSXJNSC-NRFANRHFSA-N
XLogP3.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50797619
(3S)-1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95056070
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
CID 93330810
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 92986928) is (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnc1)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is IHAQWKXDSXJNSC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(26-17-19-9-6-13-25-16-19)21-12-14-27(24(21)29)22-11-5-4-10-20(22)15-18-7-2-1-3-8-18/h1-11,13,16,21H,12,14-15,17H2,(H,26,28)/t21-/m0/s1.
What are the key properties of (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).