1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid

C23H20N2O3 — CID 141378943

IUPAC1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cccnc2)N1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(19-11-5-4-10-18(19)16-7-2-1-3-8-16)25-20(12-13-21(25)23(27)28)17-9-6-14-24-15-17/h1-11,14-15,20-21H,12-13H2,(H,27,28)
InChIKeyZZXZBMYAAUKVHX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid

1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid (PubChem CID 141378943) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid
PubChem CID141378943
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2cccnc2)N1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(19-11-5-4-10-18(19)16-7-2-1-3-8-16)25-20(12-13-21(25)23(27)28)17-9-6-14-24-15-17/h1-11,14-15,20-21H,12-13H2,(H,27,28)
InChIKeyZZXZBMYAAUKVHX-UHFFFAOYSA-N
XLogP4.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 139559148
1-(5-tert-butyl-2-phenylbenzoyl)-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141378961
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 159601367
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
CID 19105223
5-(2-chlorophenyl)-1-(2-fluoro-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379021

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid (CID 141378943) is 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2cccnc2)N1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The InChIKey is ZZXZBMYAAUKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(19-11-5-4-10-18(19)16-7-2-1-3-8-16)25-20(12-13-21(25)23(27)28)17-9-6-14-24-15-17/h1-11,14-15,20-21H,12-13H2,(H,27,28).
What are the key properties of 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid?
1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141378943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).