methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate

C15H15N3O4 — CID 167495939

IUPACmethyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate
SMILESCNc1ccc(Oc2ncc(C)cc2N=O)c(C(=O)OC)c1
InChIInChI=1S/C15H15N3O4/c1-9-6-12(18-20)14(17-8-9)22-13-5-4-10(16-2)7-11(13)15(19)21-3/h4-8,16H,1-3H3
InChIKeyIDSNXHVWXNHBQO-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.41
Rot. Bonds5

About methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate

methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate (PubChem CID 167495939) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate
PubChem CID167495939
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namemethyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate
SMILESCNc1ccc(Oc2ncc(C)cc2N=O)c(C(=O)OC)c1
InChIInChI=1S/C15H15N3O4/c1-9-6-12(18-20)14(17-8-9)22-13-5-4-10(16-2)7-11(13)15(19)21-3/h4-8,16H,1-3H3
InChIKeyIDSNXHVWXNHBQO-UHFFFAOYSA-N
XLogP3.41
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate;prop-2-enal
CID 167495938
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 5-(hydroxyamino)-2-nitrosobenzoate
CID 165159917
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 3-(benzhydrylideneamino)-5-methylpyridine-2-carboxylate
CID 163675552
methyl 2-(4-fluorophenoxy)-5-methylbenzoate
CID 143796271
methyl 2-(4-methylphenoxy)-5-(1H-pyrazol-4-yl)benzoate
CID 155459433
methyl 2-(methylamino)-5-nitrosobenzoate
CID 82254168
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
methyl 5-fluoro-2-nitrosobenzoate
CID 142433030

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate?
The IUPAC name of methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate (CID 167495939) is methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate?
The canonical SMILES for methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate is CNc1ccc(Oc2ncc(C)cc2N=O)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate?
The InChIKey is IDSNXHVWXNHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-6-12(18-20)14(17-8-9)22-13-5-4-10(16-2)7-11(13)15(19)21-3/h4-8,16H,1-3H3.
What are the key properties of methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate?
methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate has a molecular weight of 301.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-2-[(5-methyl-3-nitroso-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 167495939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).