[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate

C16H16N2O4 — CID 649387

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-21-14-7-5-13(6-8-14)18-15(19)11-22-16(20)12-4-3-9-17-10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyNVVUQFLPEDEGTO-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.28
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 649387) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID649387
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1
InChIInChI=1S/C16H16N2O4/c1-2-21-14-7-5-13(6-8-14)18-15(19)11-22-16(20)12-4-3-9-17-10-12/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyNVVUQFLPEDEGTO-UHFFFAOYSA-N
XLogP2.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414010
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860632
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414037
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
1-(4-ethoxyphenyl)-3-(pyridine-3-carbonylamino)urea
CID 972166
[2-(4-ethoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626294
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 649387) is [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is NVVUQFLPEDEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-21-14-7-5-13(6-8-14)18-15(19)11-22-16(20)12-4-3-9-17-10-12/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 649387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).