6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one

C22H26N2O4 — CID 91419195

IUPAC6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one
SMILESCC(=O)CC1(C)CCN(C(C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1
InChIInChI=1S/C22H26N2O4/c1-15(25)13-22(3)11-12-24(21(27)28-22)16(2)17-5-7-18(8-6-17)19-9-10-20(26)23(4)14-19/h5-10,14,16H,11-13H2,1-4H3
InChIKeyAOWKXBIFWPUCSS-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.69
Rot. Bonds5

About 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one

6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one (PubChem CID 91419195) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one
PubChem CID91419195
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one
SMILESCC(=O)CC1(C)CCN(C(C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1
InChIInChI=1S/C22H26N2O4/c1-15(25)13-22(3)11-12-24(21(27)28-22)16(2)17-5-7-18(8-6-17)19-9-10-20(26)23(4)14-19/h5-10,14,16H,11-13H2,1-4H3
InChIKeyAOWKXBIFWPUCSS-UHFFFAOYSA-N
XLogP3.69
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one (CID 91419195) is 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one is CC(=O)CC1(C)CCN(C(C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1.
What is the InChIKey of 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one?
The InChIKey is AOWKXBIFWPUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(25)13-22(3)11-12-24(21(27)28-22)16(2)17-5-7-18(8-6-17)19-9-10-20(26)23(4)14-19/h5-10,14,16H,11-13H2,1-4H3.
What are the key properties of 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one?
6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-oxopropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 91419195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).