methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate

C14H15N3O3 — CID 114404918

IUPACmethyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H15N3O3/c1-19-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)20-2/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeyPPNZXKPFSZAUQP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.20
Rot. Bonds4

About methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate

methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate (PubChem CID 114404918) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
PubChem CID114404918
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C14H15N3O3/c1-19-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)20-2/h3-8H,15H2,1-2H3,(H,16,17)
InChIKeyPPNZXKPFSZAUQP-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

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Related Compounds

methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
5-amino-6-[4-(difluoromethoxy)anilino]pyridine-2-carboxamide
CID 114405362
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate (CID 114404918) is methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(OC)cc2)n1.
What is the InChIKey of methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate?
The InChIKey is PPNZXKPFSZAUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)20-2/h3-8H,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate 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-6-(4-methoxyanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114404918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).