5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane

C18H26N2O3 — CID 159399522

IUPAC5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane
SMILESCC.CC1=C(C)C(=O)N(C(C)(C)C(=O)Cc2cccnc2)CO1
InChIInChI=1S/C16H20N2O3.C2H6/c1-11-12(2)21-10-18(15(11)20)16(3,4)14(19)8-13-6-5-7-17-9-13;1-2/h5-7,9H,8,10H2,1-4H3;1-2H3
InChIKeyLNDTXXPNPBSUOS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds4

About 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane

5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane (PubChem CID 159399522) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane
PubChem CID159399522
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane
SMILESCC.CC1=C(C)C(=O)N(C(C)(C)C(=O)Cc2cccnc2)CO1
InChIInChI=1S/C16H20N2O3.C2H6/c1-11-12(2)21-10-18(15(11)20)16(3,4)14(19)8-13-6-5-7-17-9-13;1-2/h5-7,9H,8,10H2,1-4H3;1-2H3
InChIKeyLNDTXXPNPBSUOS-UHFFFAOYSA-N
XLogP3.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane with MolForge

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Related Compounds

5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one
CID 159399523
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
CID 104735994
3-methyl-3-(methylamino)-1-pyridin-3-ylbutan-2-one
CID 116566436
3-amino-3-methyl-1-pyridin-3-ylhexan-2-one
CID 116557063
3-[4-(3,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795471
3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one
CID 54480933
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
2-pyridin-3-ylacetyl chloride
CID 14697475
CID 66868100
CID 66868100
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
CID 107845575

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane?
The IUPAC name of 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane (CID 159399522) is 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane.
What is the SMILES notation for 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane?
The canonical SMILES for 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane is CC.CC1=C(C)C(=O)N(C(C)(C)C(=O)Cc2cccnc2)CO1.
What is the InChIKey of 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane?
The InChIKey is LNDTXXPNPBSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.C2H6/c1-11-12(2)21-10-18(15(11)20)16(3,4)14(19)8-13-6-5-7-17-9-13;1-2/h5-7,9H,8,10H2,1-4H3;1-2H3.
What are the key properties of 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane?
5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane has a molecular weight of 318.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methyl-3-oxo-4-pyridin-3-ylbutan-2-yl)-2H-1,3-oxazin-4-one;ethane is sourced from PubChem (CID 159399522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).