[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate

C16H15N3O4 — CID 2357468

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18-12-5-7-13(8-6-12)19-15(21)10-23-16(22)14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHAUDRGZUPSLJPW-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.84
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2357468) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2357468
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18-12-5-7-13(8-6-12)19-15(21)10-23-16(22)14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHAUDRGZUPSLJPW-UHFFFAOYSA-N
XLogP1.84
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 2357468) is [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is HAUDRGZUPSLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(20)18-12-5-7-13(8-6-12)19-15(21)10-23-16(22)14-4-2-3-9-17-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).