1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid

C11H14N2O4 — CID 63892934

IUPAC1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
SMILESCNC(=O)CCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H14N2O4/c1-12-9(14)3-2-6-13-7-8(11(16)17)4-5-10(13)15/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,16,17)
InChIKeyUAHGBJWGRGEPMV-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.07
Rot. Bonds5

About 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid

1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 63892934) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
PubChem CID63892934
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
SMILESCNC(=O)CCCn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H14N2O4/c1-12-9(14)3-2-6-13-7-8(11(16)17)4-5-10(13)15/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,16,17)
InChIKeyUAHGBJWGRGEPMV-UHFFFAOYSA-N
XLogP0.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxylic acid
CID 115514358
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
1-[(E)-but-2-enyl]-6-oxopyridine-3-carboxylic acid
CID 28545450
6-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxylic acid
CID 30056609
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099
1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
CID 114539880
1-[2-(butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54956643
1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 63316438
5-bromo-1-[3-(methylamino)-3-oxopropyl]pyrrole-3-carboxylic acid
CID 79114055

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid (CID 63892934) is 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid is CNC(=O)CCCn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is UAHGBJWGRGEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-9(14)3-2-6-13-7-8(11(16)17)4-5-10(13)15/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid?
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63892934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).