methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate

C14H14N2O2 — CID 82556066

IUPACmethyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(C)c2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-7-12(8-16-13(9)15)10-3-5-11(6-4-10)14(17)18-2/h3-8H,1-2H3,(H2,15,16)
InChIKeyAXUZVQRTHQRWJH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds2

About methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate

methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate (PubChem CID 82556066) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
PubChem CID82556066
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namemethyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(C)c2)cc1
InChIInChI=1S/C14H14N2O2/c1-9-7-12(8-16-13(9)15)10-3-5-11(6-4-10)14(17)18-2/h3-8H,1-2H3,(H2,15,16)
InChIKeyAXUZVQRTHQRWJH-UHFFFAOYSA-N
XLogP2.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 170556001
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598
methyl 4-[[2-amino-5-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonyl]amino]benzoate
CID 155777473
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate?
The IUPAC name of methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate (CID 82556066) is methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate?
The canonical SMILES for methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate is COC(=O)c1ccc(-c2cnc(N)c(C)c2)cc1.
What is the InChIKey of methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate?
The InChIKey is AXUZVQRTHQRWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-12(8-16-13(9)15)10-3-5-11(6-4-10)14(17)18-2/h3-8H,1-2H3,(H2,15,16).
What are the key properties of methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate?
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate has a molecular weight of 242.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate is sourced from PubChem (CID 82556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).