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

C25H26N2O2 — CID 6480031

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-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-PFONDFGASA-N
MW386.50 g/mol
LogP4.71
Rot. Bonds6

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

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480031) 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-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480031
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-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-PFONDFGASA-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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Related Compounds

CID 702997
CID 702997
CID 481009
CID 481009
CID 486991
CID 486991
CID 3012806
CID 3012806
CID 6320551
CID 6320551
CID 6480025
CID 6480025
CID 6480049
CID 6480049
CID 6480054
CID 6480054
CID 5280008
CID 5280008
CID 9885616
CID 9885616
CID 15957706
CID 15957706
CID 686674
CID 686674

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one (CID 6480031) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-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-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is HWBIRXAROAGGGQ-PFONDFGASA-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-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-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-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).