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

C16H14N2O4 — CID 2408217

IUPAC[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccncc1
InChIInChI=1S/C16H14N2O4/c1-11(19)13-4-2-3-5-14(13)18-15(20)10-22-16(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCRIQXCCQDYZVBW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.08
Rot. Bonds5

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

[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2408217) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2408217
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccncc1
InChIInChI=1S/C16H14N2O4/c1-11(19)13-4-2-3-5-14(13)18-15(20)10-22-16(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCRIQXCCQDYZVBW-UHFFFAOYSA-N
XLogP2.08
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 2406749
[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
[2-(2-acetylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2418106
[2-(2-acetylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670960
[2-(2-acetylanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 17419624
[2-(2-acetylanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588509
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 3592243
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-(2-acetylanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2605794

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate (CID 2408217) is [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccncc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is CRIQXCCQDYZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-11(19)13-4-2-3-5-14(13)18-15(20)10-22-16(21)12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate?
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2408217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).