1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one

C29H27N3O — CID 13287213

IUPAC1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one
SMILESCc1ccc(C(/C=C/N(C)C)=N/n2c(-c3ccccc3)cc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C29H27N3O/c1-22-14-16-24(17-15-22)27(18-19-31(2)3)30-32-28(25-12-8-5-9-13-25)20-26(21-29(32)33)23-10-6-4-7-11-23/h4-21H,1-3H3/b19-18+,30-27+
InChIKeyDXMQQNMUFJBXTK-LOJQYYMKSA-N
MW433.56 g/mol
LogP5.82
Rot. Bonds6

About 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one

1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one (PubChem CID 13287213) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one
PubChem CID13287213
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC Name1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one
SMILESCc1ccc(C(/C=C/N(C)C)=N/n2c(-c3ccccc3)cc(-c3ccccc3)cc2=O)cc1
InChIInChI=1S/C29H27N3O/c1-22-14-16-24(17-15-22)27(18-19-31(2)3)30-32-28(25-12-8-5-9-13-25)20-26(21-29(32)33)23-10-6-4-7-11-23/h4-21H,1-3H3/b19-18+,30-27+
InChIKeyDXMQQNMUFJBXTK-LOJQYYMKSA-N
XLogP5.82
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one with MolForge

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Related Compounds

4-methyl-N-(2-oxo-4,6-diphenyl-1-pyridinyl)-N-phenylbenzamide
CID 3333477
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(E,3E)-N,N-dimethyl-3-(2-methyl-4-phenylimidazol-1-yl)imino-3-(4-methylsulfanylphenyl)prop-1-en-1-amine
CID 10248972
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
3-[3-(dimethylamino)prop-2-enoyl]-2-methyl-5-phenylbenzoic acid
CID 174577075
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1-(methylamino)-4,6-diphenylpyridin-2-one
CID 11778207
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
1,1'-biphenyl;toluene
CID 18366440

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one?
The IUPAC name of 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one (CID 13287213) is 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one.
What is the SMILES notation for 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one?
The canonical SMILES for 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one is Cc1ccc(C(/C=C/N(C)C)=N/n2c(-c3ccccc3)cc(-c3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one?
The InChIKey is DXMQQNMUFJBXTK-LOJQYYMKSA-N. The full InChI is InChI=1S/C29H27N3O/c1-22-14-16-24(17-15-22)27(18-19-31(2)3)30-32-28(25-12-8-5-9-13-25)20-26(21-29(32)33)23-10-6-4-7-11-23/h4-21H,1-3H3/b19-18+,30-27+.
What are the key properties of 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one?
1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one has a molecular weight of 433.56 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-3-(dimethylamino)-1-(4-methylphenyl)prop-2-enylidene]amino]-4,6-diphenylpyridin-2-one is sourced from PubChem (CID 13287213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).