methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate

C14H15N3O3 — CID 61306530

IUPACmethyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
SMILESCOC(=O)c1cc(N)ccc1Nc1ccc(OC)nc1
InChIInChI=1S/C14H15N3O3/c1-19-13-6-4-10(8-16-13)17-12-5-3-9(15)7-11(12)14(18)20-2/h3-8,17H,15H2,1-2H3
InChIKeyQZOYINQPDZTMHL-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.20
Rot. Bonds4

About methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate

methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate (PubChem CID 61306530) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
PubChem CID61306530
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate
SMILESCOC(=O)c1cc(N)ccc1Nc1ccc(OC)nc1
InChIInChI=1S/C14H15N3O3/c1-19-13-6-4-10(8-16-13)17-12-5-3-9(15)7-11(12)14(18)20-2/h3-8,17H,15H2,1-2H3
InChIKeyQZOYINQPDZTMHL-UHFFFAOYSA-N
XLogP2.20
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
methyl 5-amino-2-(1,3-benzothiazol-6-ylamino)benzoate
CID 107800530
methyl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 61313670
methyl 5-amino-2-(4-bromo-3-chloroanilino)benzoate
CID 107615632
methyl 5-amino-2-[(2-methyl-3-pyridinyl)amino]benzoate
CID 79043332
methyl 5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzoate
CID 62990167
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561
methyl 5-amino-2-(2,3,4-trifluoroanilino)benzoate
CID 61307392
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
methyl 5-amino-2-(2-chloroanilino)benzoate
CID 61305288
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
ethyl 5-amino-2-(3-methoxyanilino)benzoate
CID 61306565

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate?
The IUPAC name of methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate (CID 61306530) is methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate.
What is the SMILES notation for methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate?
The canonical SMILES for methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate is COC(=O)c1cc(N)ccc1Nc1ccc(OC)nc1.
What is the InChIKey of methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate?
The InChIKey is QZOYINQPDZTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-13-6-4-10(8-16-13)17-12-5-3-9(15)7-11(12)14(18)20-2/h3-8,17H,15H2,1-2H3.
What are the key properties of methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate?
methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(6-methoxy-3-pyridinyl)amino]benzoate is sourced from PubChem (CID 61306530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).