5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one

C22H19N3O — CID 90948843

IUPAC5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one
SMILESNC1=CC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C22H19N3O/c23-20-15-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(26)25(20)16-17-11-13-24-14-12-17/h1-15H,16,23H2
InChIKeyLBWNRCYAWUWYJS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one

5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one (PubChem CID 90948843) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one.

Molecular Properties

Compound Name5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one
PubChem CID90948843
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one
SMILESNC1=CC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C22H19N3O/c23-20-15-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(26)25(20)16-17-11-13-24-14-12-17/h1-15H,16,23H2
InChIKeyLBWNRCYAWUWYJS-UHFFFAOYSA-N
XLogP3.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one?
The IUPAC name of 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one (CID 90948843) is 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one.
What is the SMILES notation for 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one?
The canonical SMILES for 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one is NC1=CC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccncc1.
What is the InChIKey of 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one?
The InChIKey is LBWNRCYAWUWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-20-15-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)21(26)25(20)16-17-11-13-24-14-12-17/h1-15H,16,23H2.
What are the key properties of 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one?
5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-diphenyl-1-(pyridin-4-ylmethyl)pyrrol-2-one is sourced from PubChem (CID 90948843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).