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

C17H26N2O2 — CID 82218767

IUPAC5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C17H26N2O2/c1-16(2)6-13-7-17(3,10-16)11-19(13)8-12-5-14(20)15(21)9-18(12)4/h5,9,13,21H,6-8,10-11H2,1-4H3
InChIKeyYRJWCONHCQXMJS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds2

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

5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (PubChem CID 82218767) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
PubChem CID82218767
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one
SMILESCn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C17H26N2O2/c1-16(2)6-13-7-17(3,10-16)11-19(13)8-12-5-14(20)15(21)9-18(12)4/h5,9,13,21H,6-8,10-11H2,1-4H3
InChIKeyYRJWCONHCQXMJS-UHFFFAOYSA-N
XLogP2.49
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The IUPAC name of 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one (CID 82218767) is 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The canonical SMILES for 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is Cn1cc(O)c(=O)cc1CN1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
The InChIKey is YRJWCONHCQXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)6-13-7-17(3,10-16)11-19(13)8-12-5-14(20)15(21)9-18(12)4/h5,9,13,21H,6-8,10-11H2,1-4H3.
What are the key properties of 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one?
5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82218767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).