4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one

C17H18F2N2O2 — CID 3012789

IUPAC4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2/c1-5-10-9(2)20-17(23)15(21(3)4)13(10)16(22)14-11(18)7-6-8-12(14)19/h6-8H,5H2,1-4H3,(H,20,23)
InChIKeyMWSDWTFHSLQDQC-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.82
Rot. Bonds4

About 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one

4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 3012789) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID3012789
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2/c1-5-10-9(2)20-17(23)15(21(3)4)13(10)16(22)14-11(18)7-6-8-12(14)19/h6-8H,5H2,1-4H3,(H,20,23)
InChIKeyMWSDWTFHSLQDQC-UHFFFAOYSA-N
XLogP2.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazinone, 3-(2-(4-methylphenyl)-2-oxoethylidene)-
CID 702997
3-amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 481009
5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
CID 486991
2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
CID 3012806
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]prop-2-enenitrile
CID 6480025
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-methyl-prop-2-enenitrile
CID 6480049
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile
CID 6480054
3-[2-(4-Fluorophenyl)-2-oxoethylidene]-2-piperazinone
CID 752789
Piperazinone, 3-(2-oxo-2-phenylethylidene)-
CID 686674
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486859
4-[(3,5-difluorophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486862
3-(dimethylamino)-5-ethyl-4-[(3-fluorophenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 486866

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one (CID 3012789) is 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is MWSDWTFHSLQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-5-10-9(2)20-17(23)15(21(3)4)13(10)16(22)14-11(18)7-6-8-12(14)19/h6-8H,5H2,1-4H3,(H,20,23).
What are the key properties of 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 320.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 3012789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).