3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one

C29H23N3O2 — CID 3911119

IUPAC3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(NC2=C(C(=O)c3ccccc3)C(c3ccccc3)N(c3ccccn3)C2=O)cc1
InChIInChI=1S/C29H23N3O2/c1-20-15-17-23(18-16-20)31-26-25(28(33)22-12-6-3-7-13-22)27(21-10-4-2-5-11-21)32(29(26)34)24-14-8-9-19-30-24/h2-19,27,31H,1H3
InChIKeyHPJZGHZBCROJNA-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.73
Rot. Bonds6

About 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one

3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 3911119) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID3911119
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC Name3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCc1ccc(NC2=C(C(=O)c3ccccc3)C(c3ccccc3)N(c3ccccn3)C2=O)cc1
InChIInChI=1S/C29H23N3O2/c1-20-15-17-23(18-16-20)31-26-25(28(33)22-12-6-3-7-13-22)27(21-10-4-2-5-11-21)32(29(26)34)24-14-8-9-19-30-24/h2-19,27,31H,1H3
InChIKeyHPJZGHZBCROJNA-UHFFFAOYSA-N
XLogP5.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one (CID 3911119) is 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one is Cc1ccc(NC2=C(C(=O)c3ccccc3)C(c3ccccc3)N(c3ccccn3)C2=O)cc1.
What is the InChIKey of 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is HPJZGHZBCROJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2/c1-20-15-17-23(18-16-20)31-26-25(28(33)22-12-6-3-7-13-22)27(21-10-4-2-5-11-21)32(29(26)34)24-14-8-9-19-30-24/h2-19,27,31H,1H3.
What are the key properties of 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one?
3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 445.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-(4-methylanilino)-2-phenyl-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3911119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).