[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C16H16N2O4 — CID 8786611

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-10-5-6-13(11(2)8-10)18-14(19)9-22-16(21)12-4-3-7-17-15(12)20/h3-8H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQTTNAOGUYBRBBL-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.79
Rot. Bonds4

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 8786611) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID8786611
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-10-5-6-13(11(2)8-10)18-14(19)9-22-16(21)12-4-3-7-17-15(12)20/h3-8H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQTTNAOGUYBRBBL-UHFFFAOYSA-N
XLogP1.79
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786024
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2411097
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786481
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8984093
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786755
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23887568
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149349
[2-(4-tert-butylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2350817
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344823
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 8786611) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc[nH]c2=O)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QTTNAOGUYBRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-5-6-13(11(2)8-10)18-14(19)9-22-16(21)12-4-3-7-17-15(12)20/h3-8H,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 8786611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).