1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

C13H20N2O4 — CID 114201515

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(CC(C)(C)N(C)C)c(C(=O)O)cc1=O
InChIInChI=1S/C13H20N2O4/c1-13(2,14(3)4)8-15-7-11(19-5)10(16)6-9(15)12(17)18/h6-7H,8H2,1-5H3,(H,17,18)
InChIKeyZDCQTWAHMYVKHL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201515) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201515
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(CC(C)(C)N(C)C)c(C(=O)O)cc1=O
InChIInChI=1S/C13H20N2O4/c1-13(2,14(3)4)8-15-7-11(19-5)10(16)6-9(15)12(17)18/h6-7H,8H2,1-5H3,(H,17,18)
InChIKeyZDCQTWAHMYVKHL-UHFFFAOYSA-N
XLogP0.90
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201515) is 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(CC(C)(C)N(C)C)c(C(=O)O)cc1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is ZDCQTWAHMYVKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,14(3)4)8-15-7-11(19-5)10(16)6-9(15)12(17)18/h6-7H,8H2,1-5H3,(H,17,18).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).