methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate

C21H19N3O4 — CID 109163865

IUPACmethyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3OC)nc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-18-6-4-3-5-17(18)24-19-12-9-15(13-22-19)20(25)23-16-10-7-14(8-11-16)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKCDDTFWBMJZDB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds6

About methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109163865) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109163865
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3OC)nc2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-18-6-4-3-5-17(18)24-19-12-9-15(13-22-19)20(25)23-16-10-7-14(8-11-16)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25)
InChIKeyYKCDDTFWBMJZDB-UHFFFAOYSA-N
XLogP3.87
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate 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

N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
methyl 2-[[5-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163904
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
6-(2-bromoanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109163910
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate (CID 109163865) is methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3OC)nc2)cc1.
What is the InChIKey of methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is YKCDDTFWBMJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-18-6-4-3-5-17(18)24-19-12-9-15(13-22-19)20(25)23-16-10-7-14(8-11-16)21(26)28-2/h3-13H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109163865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).