1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

C18H20N2O4 — CID 82108011

IUPAC1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C18H20N2O4/c1-3-12-6-5-7-13(4-2)17(12)19-15(21)11-20-10-14(18(23)24)8-9-16(20)22/h5-10H,3-4,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyBQYAWYDKXMOUKE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds6

About 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid

1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 82108011) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID82108011
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C18H20N2O4/c1-3-12-6-5-7-13(4-2)17(12)19-15(21)11-20-10-14(18(23)24)8-9-16(20)22/h5-10H,3-4,11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyBQYAWYDKXMOUKE-UHFFFAOYSA-N
XLogP2.31
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid (CID 82108011) is 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is CCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is BQYAWYDKXMOUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-12-6-5-7-13(4-2)17(12)19-15(21)11-20-10-14(18(23)24)8-9-16(20)22/h5-10H,3-4,11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).