2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one

C31H28N2O — CID 145462238

IUPAC2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)CC1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2O/c32-30-25(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(34)31(33-30,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,25,28H,21-22H2,(H2,32,33)
InChIKeyKNUKIHAUNJIMGJ-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.10
Rot. Bonds6

About 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one

2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one (PubChem CID 145462238) has the molecular formula C31H28N2O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one.

Molecular Properties

Compound Name2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one
PubChem CID145462238
Molecular FormulaC31H28N2O
Molecular Weight444.58 g/mol
Exact Mass444.22
IUPAC Name2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)CC1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2O/c32-30-25(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(34)31(33-30,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,25,28H,21-22H2,(H2,32,33)
InChIKeyKNUKIHAUNJIMGJ-UHFFFAOYSA-N
XLogP6.10
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one?
The IUPAC name of 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one (CID 145462238) is 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one.
What is the SMILES notation for 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one?
The canonical SMILES for 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)CC1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one?
The InChIKey is KNUKIHAUNJIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O/c32-30-25(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(34)31(33-30,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,25,28H,21-22H2,(H2,32,33).
What are the key properties of 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one?
2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one has a molecular weight of 444.58 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-diphenylethyl)-6,6-diphenyl-3,4-dihydropyridin-5-one is sourced from PubChem (CID 145462238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).