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

C24H25N3O2 — CID 6480034

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C24H25N3O2/c1-5-20-16(2)26-24(29)22(27(3)4)21(20)23(28)18-10-8-9-17(15-18)12-13-19-11-6-7-14-25-19/h6-15H,5H2,1-4H3,(H,26,29)/b13-12+
InChIKeyAUZAKOOAGXPADZ-OUKQBFOZSA-N
MW387.48 g/mol
LogP4.11
Rot. Bonds6

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

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480034) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480034
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C24H25N3O2/c1-5-20-16(2)26-24(29)22(27(3)4)21(20)23(28)18-10-8-9-17(15-18)12-13-19-11-6-7-14-25-19/h6-15H,5H2,1-4H3,(H,26,29)/b13-12+
InChIKeyAUZAKOOAGXPADZ-OUKQBFOZSA-N
XLogP4.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one (CID 6480034) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is AUZAKOOAGXPADZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-5-20-16(2)26-24(29)22(27(3)4)21(20)23(28)18-10-8-9-17(15-18)12-13-19-11-6-7-14-25-19/h6-15H,5H2,1-4H3,(H,26,29)/b13-12+.
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-pyridin-2-ylethenyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).