methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate

C18H21N3O4 — CID 129248951

IUPACmethyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(O/N=C(\C)c2cccnc2OC)ccc1C
InChIInChI=1S/C18H21N3O4/c1-12-7-8-15(10-14(12)11-20-18(22)24-4)25-21-13(2)16-6-5-9-19-17(16)23-3/h5-10H,11H2,1-4H3,(H,20,22)/b21-13+
InChIKeyCKOACFKGHCKTRM-FYJGNVAPSA-N
MW343.38 g/mol
LogP3.06
Rot. Bonds6

About methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate

methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate (PubChem CID 129248951) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
PubChem CID129248951
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(O/N=C(\C)c2cccnc2OC)ccc1C
InChIInChI=1S/C18H21N3O4/c1-12-7-8-15(10-14(12)11-20-18(22)24-4)25-21-13(2)16-6-5-9-19-17(16)23-3/h5-10H,11H2,1-4H3,(H,20,22)/b21-13+
InChIKeyCKOACFKGHCKTRM-FYJGNVAPSA-N
XLogP3.06
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
CID 129248980
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360086
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773
N-(2-chloroethyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 63391571

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The IUPAC name of methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate (CID 129248951) is methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate is COC(=O)NCc1cc(O/N=C(\C)c2cccnc2OC)ccc1C.
What is the InChIKey of methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The InChIKey is CKOACFKGHCKTRM-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-7-8-15(10-14(12)11-20-18(22)24-4)25-21-13(2)16-6-5-9-19-17(16)23-3/h5-10H,11H2,1-4H3,(H,20,22)/b21-13+.
What are the key properties of methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate has a molecular weight of 343.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate is sourced from PubChem (CID 129248951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).