ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate

C21H19N3O3 — CID 109176152

IUPACethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-2-27-21(26)15-8-10-18(11-9-15)24-20(25)16-12-13-22-19(14-16)23-17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyXQPHBAAGTDJBPB-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.25
Rot. Bonds6

About ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate

ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate (PubChem CID 109176152) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
PubChem CID109176152
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Nameethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O3/c1-2-27-21(26)15-8-10-18(11-9-15)24-20(25)16-12-13-22-19(14-16)23-17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,22,23)(H,24,25)
InChIKeyXQPHBAAGTDJBPB-UHFFFAOYSA-N
XLogP4.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018
ethyl 4-[[2-(2-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177937
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate (CID 109176152) is ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3)c2)cc1.
What is the InChIKey of ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate?
The InChIKey is XQPHBAAGTDJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-27-21(26)15-8-10-18(11-9-15)24-20(25)16-12-13-22-19(14-16)23-17-6-4-3-5-7-17/h3-14H,2H2,1H3,(H,22,23)(H,24,25).
What are the key properties of ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate?
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 109176152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).