3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one

C25H26N2O2 — CID 6480032

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-5-21-17(2)26-25(29)23(27(3)4)22(21)24(28)20-13-9-12-19(16-20)15-14-18-10-7-6-8-11-18/h6-16H,5H2,1-4H3,(H,26,29)/b15-14+
InChIKeyHWBIRXAROAGGGQ-CCEZHUSRSA-N
MW386.50 g/mol
LogP4.71
Rot. Bonds6

About 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480032) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480032
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c1-5-21-17(2)26-25(29)23(27(3)4)22(21)24(28)20-13-9-12-19(16-20)15-14-18-10-7-6-8-11-18/h6-16H,5H2,1-4H3,(H,26,29)/b15-14+
InChIKeyHWBIRXAROAGGGQ-CCEZHUSRSA-N
XLogP4.71
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one (CID 6480032) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is HWBIRXAROAGGGQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-5-21-17(2)26-25(29)23(27(3)4)22(21)24(28)20-13-9-12-19(16-20)15-14-18-10-7-6-8-11-18/h6-16H,5H2,1-4H3,(H,26,29)/b15-14+.
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).