1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C16H22N2O2 — CID 116576066

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)C2CC3CCC2N3)c1C
InChIInChI=1S/C16H22N2O2/c1-9-8-17-14(10(2)16(9)20-3)7-15(19)12-6-11-4-5-13(12)18-11/h8,11-13,18H,4-7H2,1-3H3
InChIKeyPOKUQZPQSOGYJR-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.96
Rot. Bonds4

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 116576066) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID116576066
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)C2CC3CCC2N3)c1C
InChIInChI=1S/C16H22N2O2/c1-9-8-17-14(10(2)16(9)20-3)7-15(19)12-6-11-4-5-13(12)18-11/h8,11-13,18H,4-7H2,1-3H3
InChIKeyPOKUQZPQSOGYJR-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547474
1-(4-aminooxolan-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116587571
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
CID 116564272
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-ol
CID 64910537
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
CID 64906550
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72892165
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 116576066) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)C2CC3CCC2N3)c1C.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is POKUQZPQSOGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-8-17-14(10(2)16(9)20-3)7-15(19)12-6-11-4-5-13(12)18-11/h8,11-13,18H,4-7H2,1-3H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116576066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).