ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate

C15H16N2O4 — CID 70243937

IUPACethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(N)cc2)C(C)C(=O)NC1=O
InChIInChI=1S/C15H16N2O4/c1-3-21-15(20)12-11(8(2)13(18)17-14(12)19)9-4-6-10(16)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyWJTIVHZAECUDTM-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.88
Rot. Bonds3

About ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate

ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate (PubChem CID 70243937) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
PubChem CID70243937
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(N)cc2)C(C)C(=O)NC1=O
InChIInChI=1S/C15H16N2O4/c1-3-21-15(20)12-11(8(2)13(18)17-14(12)19)9-4-6-10(16)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyWJTIVHZAECUDTM-UHFFFAOYSA-N
XLogP0.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate (CID 70243937) is ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(N)cc2)C(C)C(=O)NC1=O.
What is the InChIKey of ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The InChIKey is WJTIVHZAECUDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-21-15(20)12-11(8(2)13(18)17-14(12)19)9-4-6-10(16)7-5-9/h4-8H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminophenyl)-3-methyl-2,6-dioxo-3H-pyridine-5-carboxylate is sourced from PubChem (CID 70243937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).