1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one

C18H28N2O2 — CID 82218315

IUPAC1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
SMILESCCn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H28N2O2/c1-5-19-10-16(22)15(21)6-13(19)9-20-12-18(4)8-14(20)7-17(2,3)11-18/h6,10,14,22H,5,7-9,11-12H2,1-4H3
InChIKeyWXWOLNXHSLUJPD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds3

About 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one

1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (PubChem CID 82218315) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
PubChem CID82218315
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
SMILESCCn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C18H28N2O2/c1-5-19-10-16(22)15(21)6-13(19)9-20-12-18(4)8-14(20)7-17(2,3)11-18/h6,10,14,22H,5,7-9,11-12H2,1-4H3
InChIKeyWXWOLNXHSLUJPD-UHFFFAOYSA-N
XLogP2.97
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The IUPAC name of 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (CID 82218315) is 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is CCn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The InChIKey is WXWOLNXHSLUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-19-10-16(22)15(21)6-13(19)9-20-12-18(4)8-14(20)7-17(2,3)11-18/h6,10,14,22H,5,7-9,11-12H2,1-4H3.
What are the key properties of 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one has a molecular weight of 304.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82218315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).