2-(4-amino-3-pyridinyl)-1-cyclobutylethanone

C11H14N2O — CID 64981791

IUPAC2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
SMILESNc1ccncc1CC(=O)C1CCC1
InChIInChI=1S/C11H14N2O/c12-10-4-5-13-7-9(10)6-11(14)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,12,13)
InChIKeySBGYZLVFLWVYBY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone

2-(4-amino-3-pyridinyl)-1-cyclobutylethanone (PubChem CID 64981791) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
PubChem CID64981791
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
SMILESNc1ccncc1CC(=O)C1CCC1
InChIInChI=1S/C11H14N2O/c12-10-4-5-13-7-9(10)6-11(14)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,12,13)
InChIKeySBGYZLVFLWVYBY-UHFFFAOYSA-N
XLogP1.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
2-(4-amino-3-pyridinyl)-1-(7-azabicyclo[2.2.1]heptan-2-yl)ethanone
CID 116575964
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447755
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
2-(4-amino-3-pyridinyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115385851
2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79076896
3-[3-(4-amino-3-pyridinyl)-2-oxopropyl]piperidine-2,6-dione
CID 165087938
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(4-amino-3-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794811
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone (CID 64981791) is 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone is Nc1ccncc1CC(=O)C1CCC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone?
The InChIKey is SBGYZLVFLWVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-4-5-13-7-9(10)6-11(14)8-2-1-3-8/h4-5,7-8H,1-3,6H2,(H2,12,13).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone?
2-(4-amino-3-pyridinyl)-1-cyclobutylethanone has a molecular weight of 190.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-cyclobutylethanone is sourced from PubChem (CID 64981791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).