methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate

C18H20N2O6 — CID 139704027

IUPACmethyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
SMILESCON=C(C)c1cccc(Oc2cc(OC)cc(OC)n2)c1C(=O)OC
InChIInChI=1S/C18H20N2O6/c1-11(20-25-5)13-7-6-8-14(17(13)18(21)24-4)26-16-10-12(22-2)9-15(19-16)23-3/h6-10H,1-5H3
InChIKeyZZGBTPHUFGNMHU-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.05
Rot. Bonds7

About methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate

methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate (PubChem CID 139704027) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
PubChem CID139704027
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
SMILESCON=C(C)c1cccc(Oc2cc(OC)cc(OC)n2)c1C(=O)OC
InChIInChI=1S/C18H20N2O6/c1-11(20-25-5)13-7-6-8-14(17(13)18(21)24-4)26-16-10-12(22-2)9-15(19-16)23-3/h6-10H,1-5H3
InChIKeyZZGBTPHUFGNMHU-UHFFFAOYSA-N
XLogP3.05
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzoate
CID 6451138
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(N-hydroxy-C-methylcarbonimidoyl)benzoate
CID 85250122
benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
CID 139714669
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate
CID 86747762
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]benzoate
CID 10643920
1-[3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methoxycarbonylphenyl]ethylidene-ethyl-hydroxyazanium
CID 54060138
2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(1H-pyrrol-2-yl)benzoic acid
CID 70423004
2-pyridin-2-ylethyl 2,6-bis[(4,6-dimethoxy-2-pyridinyl)oxy]benzoate
CID 141496169
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 67848902
3-acetyloxy-2-methoxycarbonylbenzoic acid
CID 138974529
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate?
The IUPAC name of methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate (CID 139704027) is methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate?
The canonical SMILES for methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate is CON=C(C)c1cccc(Oc2cc(OC)cc(OC)n2)c1C(=O)OC.
What is the InChIKey of methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate?
The InChIKey is ZZGBTPHUFGNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-11(20-25-5)13-7-6-8-14(17(13)18(21)24-4)26-16-10-12(22-2)9-15(19-16)23-3/h6-10H,1-5H3.
What are the key properties of methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate?
methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate has a molecular weight of 360.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxy-2-pyridinyl)oxy]-6-(N-methoxy-C-methylcarbonimidoyl)benzoate is sourced from PubChem (CID 139704027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).