4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C15H22N2O4 — CID 62861933

IUPAC4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)Cn1c(C)cc(C)c(C(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-6-15(4,5)16-11(18)8-17-10(3)7-9(2)12(13(17)19)14(20)21/h7H,6,8H2,1-5H3,(H,16,18)(H,20,21)
InChIKeyXGYYAPCEEPAKAP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.47
Rot. Bonds5

About 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 62861933) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID62861933
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)Cn1c(C)cc(C)c(C(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-6-15(4,5)16-11(18)8-17-10(3)7-9(2)12(13(17)19)14(20)21/h7H,6,8H2,1-5H3,(H,16,18)(H,20,21)
InChIKeyXGYYAPCEEPAKAP-UHFFFAOYSA-N
XLogP1.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 62861933) is 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CCC(C)(C)NC(=O)Cn1c(C)cc(C)c(C(=O)O)c1=O.
What is the InChIKey of 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is XGYYAPCEEPAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-6-15(4,5)16-11(18)8-17-10(3)7-9(2)12(13(17)19)14(20)21/h7H,6,8H2,1-5H3,(H,16,18)(H,20,21).
What are the key properties of 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62861933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).