ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate

C23H23N3O3 — CID 109176919

IUPACethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-3-16-5-9-19(10-6-16)25-21-15-18(13-14-24-21)22(27)26-20-11-7-17(8-12-20)23(28)29-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHGYMDELPYWUXPG-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.82
Rot. Bonds7

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

ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109176919) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109176919
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccc(CC)cc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-3-16-5-9-19(10-6-16)25-21-15-18(13-14-24-21)22(27)26-20-11-7-17(8-12-20)23(28)29-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHGYMDELPYWUXPG-UHFFFAOYSA-N
XLogP4.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109178880
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-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
ethyl 4-[[2-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902880
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate (CID 109176919) is ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccc(CC)cc3)c2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is HGYMDELPYWUXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-16-5-9-19(10-6-16)25-21-15-18(13-14-24-21)22(27)26-20-11-7-17(8-12-20)23(28)29-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate?
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109176919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).