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

C15H22N2O4 — CID 43623200

IUPACmethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)6-11(15(20)21-5)17-14(19)12-9(3)7-10(4)16-13(12)18/h7-8,11H,6H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyDJGCASOUDCJJKJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.31
Rot. Bonds5

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

methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate (PubChem CID 43623200) 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]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate
PubChem CID43623200
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-8(2)6-11(15(20)21-5)17-14(19)12-9(3)7-10(4)16-13(12)18/h7-8,11H,6H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyDJGCASOUDCJJKJ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate (CID 43623200) is methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate?
The InChIKey is DJGCASOUDCJJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)6-11(15(20)21-5)17-14(19)12-9(3)7-10(4)16-13(12)18/h7-8,11H,6H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoate has a molecular weight of 294.35 g/mol, XLogP of 1.31, 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]-4-methylpentanoate is sourced from PubChem (CID 43623200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).