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

C26H28N2O2 — CID 6480030

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-5-22-18(2)27-26(30)24(28(3)4)23(22)25(29)21-16-10-15-20(17-21)14-9-13-19-11-7-6-8-12-19/h6-12,14-17H,5,13H2,1-4H3,(H,27,30)/b14-9-
InChIKeyVAELRKFBGUVAPC-ZROIWOOFSA-N
MW400.52 g/mol
LogP4.80
Rot. Bonds7

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

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480030) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480030
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-5-22-18(2)27-26(30)24(28(3)4)23(22)25(29)21-16-10-15-20(17-21)14-9-13-19-11-7-6-8-12-19/h6-12,14-17H,5,13H2,1-4H3,(H,27,30)/b14-9-
InChIKeyVAELRKFBGUVAPC-ZROIWOOFSA-N
XLogP4.80
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one (CID 6480030) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\Cc2ccccc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is VAELRKFBGUVAPC-ZROIWOOFSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-22-18(2)27-26(30)24(28(3)4)23(22)25(29)21-16-10-15-20(17-21)14-9-13-19-11-7-6-8-12-19/h6-12,14-17H,5,13H2,1-4H3,(H,27,30)/b14-9-.
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one has a molecular weight of 400.52 g/mol, XLogP of 4.80, 7 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)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).