ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate

C17H16N2O5 — CID 108731941

IUPACethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O5/c1-3-23-17(22)13-8-9-18-15(10-13)19-16(21)12-4-6-14(7-5-12)24-11(2)20/h4-10H,3H2,1-2H3,(H,18,19,21)
InChIKeyZZQIAWFIVYUAAT-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.44
Rot. Bonds5

About ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate

ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate (PubChem CID 108731941) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
PubChem CID108731941
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Nameethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2ccc(OC(C)=O)cc2)c1
InChIInChI=1S/C17H16N2O5/c1-3-23-17(22)13-8-9-18-15(10-13)19-16(21)12-4-6-14(7-5-12)24-11(2)20/h4-10H,3H2,1-2H3,(H,18,19,21)
InChIKeyZZQIAWFIVYUAAT-UHFFFAOYSA-N
XLogP2.44
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
CID 108731992
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
ethyl 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755527
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
CID 108755461
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate (CID 108731941) is ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)c2ccc(OC(C)=O)cc2)c1.
What is the InChIKey of ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate?
The InChIKey is ZZQIAWFIVYUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-23-17(22)13-8-9-18-15(10-13)19-16(21)12-4-6-14(7-5-12)24-11(2)20/h4-10H,3H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate?
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108731941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).