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

C14H15N3O2 — CID 82482908

IUPACmethyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ncc(N)cc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(15)8-16-13(9)17-12-5-3-10(4-6-12)14(18)19-2/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeySKVDTEBRLCSAEL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.50
Rot. Bonds3

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

methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate (PubChem CID 82482908) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
PubChem CID82482908
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ncc(N)cc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-7-11(15)8-16-13(9)17-12-5-3-10(4-6-12)14(18)19-2/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeySKVDTEBRLCSAEL-UHFFFAOYSA-N
XLogP2.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
methyl 4-[(5-amino-2-chloropyrimidin-4-yl)amino]benzoate
CID 177316720
methyl 4-[[5-amino-6-(3,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 22546860
methyl 3-(4-aminoanilino)-4-methylbenzoate
CID 4764130
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
methyl 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoate
CID 22540306
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]benzoate
CID 135575665
methyl 4-[[6-(4-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866836
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate (CID 82482908) is methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate is COC(=O)c1ccc(Nc2ncc(N)cc2C)cc1.
What is the InChIKey of methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate?
The InChIKey is SKVDTEBRLCSAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-11(15)8-16-13(9)17-12-5-3-10(4-6-12)14(18)19-2/h3-8H,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate?
methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.50, 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-3-methyl-2-pyridinyl)amino]benzoate is sourced from PubChem (CID 82482908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).