1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C16H16N2O4 — CID 82107975

IUPAC1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(NC(=O)Cn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H16N2O4/c1-2-11-5-7-12(8-6-11)17-14(19)10-18-9-3-4-13(15(18)20)16(21)22/h3-9H,2,10H2,1H3,(H,17,19)(H,21,22)
InChIKeyJJRLZWPHCJFSPU-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.75
Rot. Bonds5

About 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 82107975) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID82107975
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(NC(=O)Cn2cccc(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H16N2O4/c1-2-11-5-7-12(8-6-11)17-14(19)10-18-9-3-4-13(15(18)20)16(21)22/h3-9H,2,10H2,1H3,(H,17,19)(H,21,22)
InChIKeyJJRLZWPHCJFSPU-UHFFFAOYSA-N
XLogP1.75
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107997
1-[2-(3-ethoxycarbonylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107940
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107998
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-ethylphenyl)acetamide
CID 53114515
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107996
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323926
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 82107975) is 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CCc1ccc(NC(=O)Cn2cccc(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is JJRLZWPHCJFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-11-5-7-12(8-6-11)17-14(19)10-18-9-3-4-13(15(18)20)16(21)22/h3-9H,2,10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82107975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).