3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one

C19H24N2O3 — CID 6320551

IUPAC3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCc1c(CO)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H24N2O3/c1-6-14-15(10-22)20-19(24)17(21(4)5)16(14)18(23)13-8-11(2)7-12(3)9-13/h7-9,22H,6,10H2,1-5H3,(H,20,24)
InChIKeyUSAJKGCTDSCECL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.34
Rot. Bonds5

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

3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 6320551) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID6320551
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
SMILESCCc1c(CO)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C19H24N2O3/c1-6-14-15(10-22)20-19(24)17(21(4)5)16(14)18(23)13-8-11(2)7-12(3)9-13/h7-9,22H,6,10H2,1-5H3,(H,20,24)
InChIKeyUSAJKGCTDSCECL-UHFFFAOYSA-N
XLogP2.34
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one (CID 6320551) is 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one is CCc1c(CO)[nH]c(=O)c(N(C)C)c1C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is USAJKGCTDSCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-6-14-15(10-22)20-19(24)17(21(4)5)16(14)18(23)13-8-11(2)7-12(3)9-13/h7-9,22H,6,10H2,1-5H3,(H,20,24).
What are the key properties of 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one?
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 6320551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).