ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate

C23H23N3O3 — CID 109162871

IUPACethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nc1
InChIInChI=1S/C23H23N3O3/c1-3-16-9-12-18(13-10-16)25-21-14-11-17(15-24-21)22(27)26-20-8-6-5-7-19(20)23(28)29-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAAVZOKIOZNRNNG-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.82
Rot. Bonds7

About ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate

ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109162871) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109162871
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nc1
InChIInChI=1S/C23H23N3O3/c1-3-16-9-12-18(13-10-16)25-21-14-11-17(15-24-21)22(27)26-20-8-6-5-7-19(20)23(28)29-4-2/h5-15H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAAVZOKIOZNRNNG-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 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109265855
ethyl 2-[[5-[(2,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164884
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethyl 2-[[2-(4-chloroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177554
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109151943
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate (CID 109162871) is ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(CC)cc2)nc1.
What is the InChIKey of ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is AAVZOKIOZNRNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-16-9-12-18(13-10-16)25-21-14-11-17(15-24-21)22(27)26-20-8-6-5-7-19(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 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate?
ethyl 2-[[6-(4-ethylanilino)pyridine-3-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 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109162871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).