[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate

C17H18N2O3 — CID 1088668

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-12(2)14-7-3-4-8-15(14)19-16(20)11-22-17(21)13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyAWSVFNHOYWXKFH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.00
Rot. Bonds5

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate (PubChem CID 1088668) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
PubChem CID1088668
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
SMILESCC(C)c1ccccc1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-12(2)14-7-3-4-8-15(14)19-16(20)11-22-17(21)13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyAWSVFNHOYWXKFH-UHFFFAOYSA-N
XLogP3.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 2112543
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
CID 7506590
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-pyrrol-1-ylbenzoate
CID 40689647
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580291
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
[2-(5-chloro-2-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088766
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616356
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-amino-3-nitrobenzoate
CID 3255017

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate (CID 1088668) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate is CC(C)c1ccccc1NC(=O)COC(=O)c1cccnc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate?
The InChIKey is AWSVFNHOYWXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(2)14-7-3-4-8-15(14)19-16(20)11-22-17(21)13-6-5-9-18-10-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate is sourced from PubChem (CID 1088668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).