3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one

C21H20N2O3 — CID 135401362

IUPAC3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCO/N=C(/C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H20N2O3/c1-3-26-22-15(2)20-19(24)14-18(16-10-6-4-7-11-16)23(21(20)25)17-12-8-5-9-13-17/h4-14,24H,3H2,1-2H3/b22-15-
InChIKeyHZNNYOXGMYTDFA-JCMHNJIXSA-N
MW348.40 g/mol
LogP3.97
Rot. Bonds5

About 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one

3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one (PubChem CID 135401362) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one
PubChem CID135401362
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCO/N=C(/C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C21H20N2O3/c1-3-26-22-15(2)20-19(24)14-18(16-10-6-4-7-11-16)23(21(20)25)17-12-8-5-9-13-17/h4-14,24H,3H2,1-2H3/b22-15-
InChIKeyHZNNYOXGMYTDFA-JCMHNJIXSA-N
XLogP3.97
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one?
The IUPAC name of 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one (CID 135401362) is 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one?
The canonical SMILES for 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one is CCO/N=C(/C)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one?
The InChIKey is HZNNYOXGMYTDFA-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-22-15(2)20-19(24)14-18(16-10-6-4-7-11-16)23(21(20)25)17-12-8-5-9-13-17/h4-14,24H,3H2,1-2H3/b22-15-.
What are the key properties of 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one?
3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135401362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).