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

C15H22N2O4 — CID 43623898

IUPACmethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-6-7-15(4,14(20)21-5)17-13(19)11-9(2)8-10(3)16-12(11)18/h8H,6-7H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyREIJUXZXZVYOOW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.45
Rot. Bonds5

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

methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate (PubChem CID 43623898) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
PubChem CID43623898
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-6-7-15(4,14(20)21-5)17-13(19)11-9(2)8-10(3)16-12(11)18/h8H,6-7H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyREIJUXZXZVYOOW-UHFFFAOYSA-N
XLogP1.45
TPSA88.26 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 ≤ 51.45
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]-2-methylpentanoate?
The IUPAC name of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate (CID 43623898) is methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)OC.
What is the InChIKey of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate?
The InChIKey is REIJUXZXZVYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-6-7-15(4,14(20)21-5)17-13(19)11-9(2)8-10(3)16-12(11)18/h8H,6-7H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoate has a molecular weight of 294.35 g/mol, XLogP of 1.45, 5 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]-2-methylpentanoate is sourced from PubChem (CID 43623898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).