methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate

C16H19N3O3 — CID 71523742

IUPACmethyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ccc(C(=O)OC)c(N(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H19N3O3/c1-17-14-10-9-13(16(20)22-4)15(18-14)19(2)11-5-7-12(21-3)8-6-11/h5-10H,1-4H3,(H,17,18)
InChIKeyBCXKMOLDACYXAB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate

methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate (PubChem CID 71523742) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate
PubChem CID71523742
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate
SMILESCNc1ccc(C(=O)OC)c(N(C)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H19N3O3/c1-17-14-10-9-13(16(20)22-4)15(18-14)19(2)11-5-7-12(21-3)8-6-11/h5-10H,1-4H3,(H,17,18)
InChIKeyBCXKMOLDACYXAB-UHFFFAOYSA-N
XLogP2.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate (CID 71523742) is methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate is CNc1ccc(C(=O)OC)c(N(C)c2ccc(OC)cc2)n1.
What is the InChIKey of methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate?
The InChIKey is BCXKMOLDACYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-17-14-10-9-13(16(20)22-4)15(18-14)19(2)11-5-7-12(21-3)8-6-11/h5-10H,1-4H3,(H,17,18).
What are the key properties of methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate?
methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-N-methylanilino)-6-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 71523742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).