2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone

C16H22N2O — CID 158699711

IUPAC2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)CC23CCCC(N)(CC2)C3)n1
InChIInChI=1S/C16H22N2O/c1-12-4-2-5-13(18-12)14(19)10-15-6-3-7-16(17,11-15)9-8-15/h2,4-5H,3,6-11,17H2,1H3
InChIKeyIHJROJZNCDXVQX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone

2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 158699711) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID158699711
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)CC23CCCC(N)(CC2)C3)n1
InChIInChI=1S/C16H22N2O/c1-12-4-2-5-13(18-12)14(19)10-15-6-3-7-16(17,11-15)9-8-15/h2,4-5H,3,6-11,17H2,1H3
InChIKeyIHJROJZNCDXVQX-UHFFFAOYSA-N
XLogP3.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
CID 147821250
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
CID 114473556
6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 147325250
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
3-(6-methyl-2-pyridinyl)-3-oxopropanenitrile
CID 53435643
1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
CID 2736945
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
2-(6-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 138745188
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone (CID 158699711) is 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)CC23CCCC(N)(CC2)C3)n1.
What is the InChIKey of 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is IHJROJZNCDXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-2-5-13(18-12)14(19)10-15-6-3-7-16(17,11-15)9-8-15/h2,4-5H,3,6-11,17H2,1H3.
What are the key properties of 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-bicyclo[3.2.1]octanyl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158699711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).