3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

C24H30N2O4 — CID 143887173

IUPAC3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CCC(CC(C)(C)O)OC1=O
InChIInChI=1S/C24H30N2O4/c1-16(25-13-11-21(30-23(25)28)15-24(2,3)29)17-4-6-18(7-5-17)19-10-12-26(20-8-9-20)22(27)14-19/h4-7,10,12,14,16,20-21,29H,8-9,11,13,15H2,1-3H3
InChIKeyWYIZCAOJINXYQJ-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.28
Rot. Bonds6

About 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 143887173) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID143887173
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CCC(CC(C)(C)O)OC1=O
InChIInChI=1S/C24H30N2O4/c1-16(25-13-11-21(30-23(25)28)15-24(2,3)29)17-4-6-18(7-5-17)19-10-12-26(20-8-9-20)22(27)14-19/h4-7,10,12,14,16,20-21,29H,8-9,11,13,15H2,1-3H3
InChIKeyWYIZCAOJINXYQJ-UHFFFAOYSA-N
XLogP4.28
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (CID 143887173) is 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is CC(c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CCC(CC(C)(C)O)OC1=O.
What is the InChIKey of 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is WYIZCAOJINXYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(25-13-11-21(30-23(25)28)15-24(2,3)29)17-4-6-18(7-5-17)19-10-12-26(20-8-9-20)22(27)14-19/h4-7,10,12,14,16,20-21,29H,8-9,11,13,15H2,1-3H3.
What are the key properties of 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 410.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143887173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).