ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

C19H26N2O2 — CID 158021685

IUPACethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC.CC.CC(=O)c1cccc(/C(C)=N/c2ccc(O)cc2)n1
InChIInChI=1S/C15H14N2O2.2C2H6/c1-10(16-12-6-8-13(19)9-7-12)14-4-3-5-15(17-14)11(2)18;2*1-2/h3-9,19H,1-2H3;2*1-2H3/b16-10+;;
InChIKeyFGDFEZLDWMFLSW-CNSDMJOKSA-N
MW314.43 g/mol
LogP5.18
Rot. Bonds3

About ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone

ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (PubChem CID 158021685) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Nameethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
PubChem CID158021685
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
SMILESCC.CC.CC(=O)c1cccc(/C(C)=N/c2ccc(O)cc2)n1
InChIInChI=1S/C15H14N2O2.2C2H6/c1-10(16-12-6-8-13(19)9-7-12)14-4-3-5-15(17-14)11(2)18;2*1-2/h3-9,19H,1-2H3;2*1-2H3/b16-10+;;
InChIKeyFGDFEZLDWMFLSW-CNSDMJOKSA-N
XLogP5.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The IUPAC name of ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone (CID 158021685) is ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone.
What is the SMILES notation for ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The canonical SMILES for ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is CC.CC.CC(=O)c1cccc(/C(C)=N/c2ccc(O)cc2)n1.
What is the InChIKey of ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
The InChIKey is FGDFEZLDWMFLSW-CNSDMJOKSA-N. The full InChI is InChI=1S/C15H14N2O2.2C2H6/c1-10(16-12-6-8-13(19)9-7-12)14-4-3-5-15(17-14)11(2)18;2*1-2/h3-9,19H,1-2H3;2*1-2H3/b16-10+;;.
What are the key properties of ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone?
ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-[N-(4-hydroxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 158021685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).