methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate

C15H15N3O3 — CID 61117590

IUPACmethyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(N)cnc2C)cc1
InChIInChI=1S/C15H15N3O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h3-8H,16H2,1-2H3,(H,18,19)
InChIKeyOBZCFPROOYQBTH-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.01
Rot. Bonds3

About methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate

methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate (PubChem CID 61117590) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
PubChem CID61117590
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(N)cnc2C)cc1
InChIInChI=1S/C15H15N3O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h3-8H,16H2,1-2H3,(H,18,19)
InChIKeyOBZCFPROOYQBTH-UHFFFAOYSA-N
XLogP2.01
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
5-amino-N-(3-bromo-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 63332915
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54914178
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
5-amino-N-(3,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 54914274
methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
CID 82482908
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
CID 107074324
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate (CID 61117590) is methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(N)cnc2C)cc1.
What is the InChIKey of methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is OBZCFPROOYQBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-13(7-11(16)8-17-9)14(19)18-12-5-3-10(4-6-12)15(20)21-2/h3-8H,16H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate?
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 61117590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).