methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate

C14H14ClN3O2 — CID 114404980

IUPACmethyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-3-4-9(7-10(8)15)17-13-11(16)5-6-12(18-13)14(19)20-2/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyMNKNGOGQXNKJGU-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.16
Rot. Bonds3

About methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate

methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate (PubChem CID 114404980) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
PubChem CID114404980
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-3-4-9(7-10(8)15)17-13-11(16)5-6-12(18-13)14(19)20-2/h3-7H,16H2,1-2H3,(H,17,18)
InChIKeyMNKNGOGQXNKJGU-UHFFFAOYSA-N
XLogP3.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
methyl 5-amino-6-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 107586488
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(pyridin-3-ylamino)pyridine-2-carboxylate
CID 114404958
methyl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 61313670
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate (CID 114404980) is methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate?
The InChIKey is MNKNGOGQXNKJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-3-4-9(7-10(8)15)17-13-11(16)5-6-12(18-13)14(19)20-2/h3-7H,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate has a molecular weight of 291.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate is sourced from PubChem (CID 114404980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).