methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate

C14H15N3O2 — CID 113333029

IUPACmethyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C)c2cccnc2)c1N
InChIInChI=1S/C14H15N3O2/c1-17(10-5-4-8-16-9-10)12-7-3-6-11(13(12)15)14(18)19-2/h3-9H,15H2,1-2H3
InChIKeyCSQBRYPELWAZHJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate

methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate (PubChem CID 113333029) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
PubChem CID113333029
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
SMILESCOC(=O)c1cccc(N(C)c2cccnc2)c1N
InChIInChI=1S/C14H15N3O2/c1-17(10-5-4-8-16-9-10)12-7-3-6-11(13(12)15)14(18)19-2/h3-9H,15H2,1-2H3
InChIKeyCSQBRYPELWAZHJ-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 112579053
methyl 2-amino-3-(4-methoxy-N-methylanilino)benzoate
CID 115545752
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
CID 138490291
methyl 2-amino-3-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 115545965
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
CID 58552889
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 2-amino-3-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115545739
methyl 2-amino-3-[[2-(ethylamino)-2-oxoethyl]-methylamino]benzoate
CID 115545415
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate?
The IUPAC name of methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate (CID 113333029) is methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate?
The canonical SMILES for methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate is COC(=O)c1cccc(N(C)c2cccnc2)c1N.
What is the InChIKey of methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate?
The InChIKey is CSQBRYPELWAZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(10-5-4-8-16-9-10)12-7-3-6-11(13(12)15)14(18)19-2/h3-9H,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate?
methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate is sourced from PubChem (CID 113333029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).