1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone

C12H16N2O — CID 137437717

IUPAC1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone
SMILESCNc1cnc(C2CCC2)cc1C(C)=O
InChIInChI=1S/C12H16N2O/c1-8(15)10-6-11(9-4-3-5-9)14-7-12(10)13-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyFXLRNJQNPYGYNB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone

1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone (PubChem CID 137437717) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone
PubChem CID137437717
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone
SMILESCNc1cnc(C2CCC2)cc1C(C)=O
InChIInChI=1S/C12H16N2O/c1-8(15)10-6-11(9-4-3-5-9)14-7-12(10)13-2/h6-7,9,13H,3-5H2,1-2H3
InChIKeyFXLRNJQNPYGYNB-UHFFFAOYSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-gamma-oxo-3-pyridinebutanamide
CID 436
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
Aminopyridine N-oxide, 34
CID 44249910
Aminopyridine N-oxide, 36
CID 44249911
4-Acetyl-2-isopropenylpyridine
CID 529352
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105
4-propan-2-yl-N-pyridin-3-ylbenzamide
CID 887858
8-Aminoquinoline-5,6-dione
CID 279596
4-octyl-N-pyridin-3-ylbenzamide
CID 44450380
4-decyl-N-pyridin-3-ylbenzamide
CID 44450381
(4-(Piperazin-1-yl)phenyl)(pyridin-3-yl)methanone
CID 1510322

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone (CID 137437717) is 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone is CNc1cnc(C2CCC2)cc1C(C)=O.
What is the InChIKey of 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone?
The InChIKey is FXLRNJQNPYGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(15)10-6-11(9-4-3-5-9)14-7-12(10)13-2/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone?
1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-5-(methylamino)-4-pyridinyl]ethanone is sourced from PubChem (CID 137437717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).