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

C11H14N2O — CID 116613726

IUPAC1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
SMILESNc1cccnc1C(=O)CC1CCC1
InChIInChI=1S/C11H14N2O/c12-9-5-2-6-13-11(9)10(14)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,12H2
InChIKeyMPUYIVFPZNIHNC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.04
Rot. Bonds3

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

1-(3-amino-2-pyridinyl)-2-cyclobutylethanone (PubChem CID 116613726) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
PubChem CID116613726
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
SMILESNc1cccnc1C(=O)CC1CCC1
InChIInChI=1S/C11H14N2O/c12-9-5-2-6-13-11(9)10(14)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,12H2
InChIKeyMPUYIVFPZNIHNC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262
(3-amino-2-pyridinyl)-cyclobutylmethanone
CID 116613925
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-amino-2-pyridinyl)-cyclohexylmethanone
CID 116613694
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 143144334
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone?
The IUPAC name of 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone (CID 116613726) is 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone is Nc1cccnc1C(=O)CC1CCC1.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone?
The InChIKey is MPUYIVFPZNIHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-9-5-2-6-13-11(9)10(14)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,12H2.
What are the key properties of 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone?
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone has a molecular weight of 190.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-2-cyclobutylethanone is sourced from PubChem (CID 116613726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).