methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate

C21H19N3O4 — CID 109199740

IUPACmethyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccccc2OC)cn1
InChIInChI=1S/C21H19N3O4/c1-27-19-10-6-5-9-17(19)23-14-11-12-18(22-13-14)20(25)24-16-8-4-3-7-15(16)21(26)28-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyOCCGZLVZABTVOE-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.87
Rot. Bonds6

About methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate

methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109199740) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109199740
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccccc2OC)cn1
InChIInChI=1S/C21H19N3O4/c1-27-19-10-6-5-9-17(19)23-14-11-12-18(22-13-14)20(25)24-16-8-4-3-7-15(16)21(26)28-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyOCCGZLVZABTVOE-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

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Related Compounds

ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
5-(2-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109199751
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109199091
methyl 4-[[5-(2-ethoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate (CID 109199740) is methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccccc2OC)cn1.
What is the InChIKey of methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is OCCGZLVZABTVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-19-10-6-5-9-17(19)23-14-11-12-18(22-13-14)20(25)24-16-8-4-3-7-15(16)21(26)28-2/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[5-(2-methoxyanilino)pyridine-2-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 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109199740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).