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

C12H16N2O4 — CID 82901827

IUPAC1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C12H16N2O4/c1-8(2)6-13-10(15)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyRIJWSNZJGZCIHH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds5

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

1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 82901827) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
PubChem CID82901827
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
SMILESCC(C)CNC(=O)Cn1ccc(C(=O)O)cc1=O
InChIInChI=1S/C12H16N2O4/c1-8(2)6-13-10(15)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyRIJWSNZJGZCIHH-UHFFFAOYSA-N
XLogP0.32
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid (CID 82901827) is 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is CC(C)CNC(=O)Cn1ccc(C(=O)O)cc1=O.
What is the InChIKey of 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is RIJWSNZJGZCIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)6-13-10(15)7-14-4-3-9(12(17)18)5-11(14)16/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid?
1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 82901827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).