1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone

C15H20N2O — CID 71019606

IUPAC1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2C3CCC2CC(C)C3)nc1
InChIInChI=1S/C15H20N2O/c1-10-7-13-4-5-14(8-10)17(13)15-6-3-12(9-16-15)11(2)18/h3,6,9-10,13-14H,4-5,7-8H2,1-2H3
InChIKeyHDZGPJNNIKEQMO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds2

About 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone

1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone (PubChem CID 71019606) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone
PubChem CID71019606
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2C3CCC2CC(C)C3)nc1
InChIInChI=1S/C15H20N2O/c1-10-7-13-4-5-14(8-10)17(13)15-6-3-12(9-16-15)11(2)18/h3,6,9-10,13-14H,4-5,7-8H2,1-2H3
InChIKeyHDZGPJNNIKEQMO-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[cyclopropylidene-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 70906595
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
ethyl 6-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylate;hydrochloride
CID 46743248
[(1S,5R)-8-[5-(2-chloroacetyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 87387260
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
4-N-[(1R,5S)-8-(5-acetyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-(butan-2-ylamino)benzene-1,4-dicarboxamide
CID 67404054
6-[(1S,5R)-3-[(4-carbamoyl-2,5-dimethylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 67404509
4-N-[(1S,5R)-8-(5-acetyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-[3-(propan-2-ylamino)propylamino]benzene-1,4-dicarboxamide
CID 67404176
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
1-[6-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-one;hydrochloride
CID 67404006
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone (CID 71019606) is 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(N2C3CCC2CC(C)C3)nc1.
What is the InChIKey of 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone?
The InChIKey is HDZGPJNNIKEQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-7-13-4-5-14(8-10)17(13)15-6-3-12(9-16-15)11(2)18/h3,6,9-10,13-14H,4-5,7-8H2,1-2H3.
What are the key properties of 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone?
1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone has a molecular weight of 244.34 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 71019606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).