4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid

C15H22N2O3 — CID 114931869

IUPAC4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-15(6-2,14(19)20)9-13(18)17-12-8-10(3)7-11(4)16-12/h7-8H,5-6,9H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyFIUWKKDQCAJZNB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.92
Rot. Bonds6

About 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid

4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 114931869) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID114931869
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cc(C)cc(C)n1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-15(6-2,14(19)20)9-13(18)17-12-8-10(3)7-11(4)16-12/h7-8H,5-6,9H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyFIUWKKDQCAJZNB-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 114931869) is 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)Nc1cc(C)cc(C)n1)C(=O)O.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is FIUWKKDQCAJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-15(6-2,14(19)20)9-13(18)17-12-8-10(3)7-11(4)16-12/h7-8H,5-6,9H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 114931869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).