4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one

C14H21NO2 — CID 82920700

IUPAC4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
SMILESCCC(CC)CC(=O)Cc1ccc(OC)nc1
InChIInChI=1S/C14H21NO2/c1-4-11(5-2)8-13(16)9-12-6-7-14(17-3)15-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyIMRXNGQMEPQLRH-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.03
Rot. Bonds7

About 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one

4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one (PubChem CID 82920700) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one.

Molecular Properties

Compound Name4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
PubChem CID82920700
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
SMILESCCC(CC)CC(=O)Cc1ccc(OC)nc1
InChIInChI=1S/C14H21NO2/c1-4-11(5-2)8-13(16)9-12-6-7-14(17-3)15-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyIMRXNGQMEPQLRH-UHFFFAOYSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
CID 107896356
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one?
The IUPAC name of 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one (CID 82920700) is 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one.
What is the SMILES notation for 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one?
The canonical SMILES for 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one is CCC(CC)CC(=O)Cc1ccc(OC)nc1.
What is the InChIKey of 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one?
The InChIKey is IMRXNGQMEPQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(5-2)8-13(16)9-12-6-7-14(17-3)15-10-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one?
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one is sourced from PubChem (CID 82920700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).