1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one

C15H22N2O3 — CID 130427336

IUPAC1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
SMILESCOc1cc(C(=O)CCN(C)C)cc(OC2CCC2)n1
InChIInChI=1S/C15H22N2O3/c1-17(2)8-7-13(18)11-9-14(19-3)16-15(10-11)20-12-5-4-6-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZVSBRYDLABOZNT-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.16
Rot. Bonds7

About 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one

1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one (PubChem CID 130427336) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
PubChem CID130427336
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
SMILESCOc1cc(C(=O)CCN(C)C)cc(OC2CCC2)n1
InChIInChI=1S/C15H22N2O3/c1-17(2)8-7-13(18)11-9-14(19-3)16-15(10-11)20-12-5-4-6-12/h9-10,12H,4-8H2,1-3H3
InChIKeyZVSBRYDLABOZNT-UHFFFAOYSA-N
XLogP2.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
CID 130407748
2-(cyclobutylamino)-6-[2-(dimethylamino)ethoxy]pyridine-4-carboxylic acid
CID 161235353
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141146722
4-O-tert-butyl 2-O-methyl 6-cyclobutyloxypyridine-2,4-dicarboxylate
CID 138584763
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
cyclopentyl 3-(dimethylamino)propanoate
CID 143992011
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
3-[(6-cyclopentyloxypyridine-3-carbonyl)-ethylamino]propanoic acid
CID 120516671

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one (CID 130427336) is 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one is COc1cc(C(=O)CCN(C)C)cc(OC2CCC2)n1.
What is the InChIKey of 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one?
The InChIKey is ZVSBRYDLABOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(2)8-7-13(18)11-9-14(19-3)16-15(10-11)20-12-5-4-6-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one?
1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 130427336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).