2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

C16H22N2O — CID 138805984

IUPAC2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCCC12CC1CN(C(=O)Cc1cc(C)nc(C)c1)C2
InChIInChI=1S/C16H22N2O/c1-4-16-8-14(16)9-18(10-16)15(19)7-13-5-11(2)17-12(3)6-13/h5-6,14H,4,7-10H2,1-3H3
InChIKeyZRBBABVGVVDBND-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.50
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone

2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (PubChem CID 138805984) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
PubChem CID138805984
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
SMILESCCC12CC1CN(C(=O)Cc1cc(C)nc(C)c1)C2
InChIInChI=1S/C16H22N2O/c1-4-16-8-14(16)9-18(10-16)15(19)7-13-5-11(2)17-12(3)6-13/h5-6,14H,4,7-10H2,1-3H3
InChIKeyZRBBABVGVVDBND-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone with MolForge

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Related Compounds

1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
2-(2,6-dimethyl-4-pyridinyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone
CID 155915350
(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138384123
(2-amino-4-phenylpyrimidin-5-yl)-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138379054
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
CID 138387047
6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
CID 138810919
(1R,2R,4S)-2-benzyl-7-[2-(2,6-dimethyl-4-pyridinyl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146038858
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246649
1-[(3aR,6aR)-5-[2-(5-aminotetrazol-1-yl)acetyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-2-(3-methylphenyl)ethanone;formic acid
CID 166600213
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 162637297
3-[5-methylsulfonyl-2-(2-phenylacetyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]propanoic acid
CID 138382906

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone (CID 138805984) is 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is CCC12CC1CN(C(=O)Cc1cc(C)nc(C)c1)C2.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
The InChIKey is ZRBBABVGVVDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-16-8-14(16)9-18(10-16)15(19)7-13-5-11(2)17-12(3)6-13/h5-6,14H,4,7-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone?
2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone is sourced from PubChem (CID 138805984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).