methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate

C21H18ClN3O3 — CID 109163584

IUPACmethyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-3-7-16(22)11-18(13)25-19-10-6-15(12-23-19)20(26)24-17-8-4-14(5-9-17)21(27)28-2/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyOLUQZKHFLJQLKG-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.83
Rot. Bonds5

About methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109163584) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109163584
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Namemethyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-13-3-7-16(22)11-18(13)25-19-10-6-15(12-23-19)20(26)24-17-8-4-14(5-9-17)21(27)28-2/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyOLUQZKHFLJQLKG-UHFFFAOYSA-N
XLogP4.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

6-(5-chloro-2-methylanilino)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109163592
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
N-(3-acetylphenyl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163578
N-(1,3-benzodioxol-5-yl)-6-(5-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163587
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109163584) is methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(Cl)ccc3C)nc2)cc1.
What is the InChIKey of methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is OLUQZKHFLJQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-3-7-16(22)11-18(13)25-19-10-6-15(12-23-19)20(26)24-17-8-4-14(5-9-17)21(27)28-2/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 395.85 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109163584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).