methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate

C14H20N2O4 — CID 43623154

IUPACmethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1c(C)cc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-7(2)11(14(19)20-5)16-13(18)10-8(3)6-9(4)15-12(10)17/h6-7,11H,1-5H3,(H,15,17)(H,16,18)
InChIKeyXBLCPLIFPZEHEC-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate

methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 43623154) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate
PubChem CID43623154
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1c(C)cc(C)[nH]c1=O)C(C)C
InChIInChI=1S/C14H20N2O4/c1-7(2)11(14(19)20-5)16-13(18)10-8(3)6-9(4)15-12(10)17/h6-7,11H,1-5H3,(H,15,17)(H,16,18)
InChIKeyXBLCPLIFPZEHEC-UHFFFAOYSA-N
XLogP0.92
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate (CID 43623154) is methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1c(C)cc(C)[nH]c1=O)C(C)C.
What is the InChIKey of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is XBLCPLIFPZEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7(2)11(14(19)20-5)16-13(18)10-8(3)6-9(4)15-12(10)17/h6-7,11H,1-5H3,(H,15,17)(H,16,18).
What are the key properties of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 280.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 43623154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).