methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate

C19H30N2O4 — CID 67519919

IUPACmethyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(C)c(C)n(CCC(C)C)c1=O)C(C)C
InChIInChI=1S/C19H30N2O4/c1-11(2)8-9-21-14(6)13(5)10-15(18(21)23)17(22)20-16(12(3)4)19(24)25-7/h10-12,16H,8-9H2,1-7H3,(H,20,22)
InChIKeyHBVZEXZVRUESOI-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.44
Rot. Bonds7

About methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate

methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (PubChem CID 67519919) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
PubChem CID67519919
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(C)c(C)n(CCC(C)C)c1=O)C(C)C
InChIInChI=1S/C19H30N2O4/c1-11(2)8-9-21-14(6)13(5)10-15(18(21)23)17(22)20-16(12(3)4)19(24)25-7/h10-12,16H,8-9H2,1-7H3,(H,20,22)
InChIKeyHBVZEXZVRUESOI-UHFFFAOYSA-N
XLogP2.44
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate (CID 67519919) is methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(C)c(C)n(CCC(C)C)c1=O)C(C)C.
What is the InChIKey of methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
The InChIKey is HBVZEXZVRUESOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-11(2)8-9-21-14(6)13(5)10-15(18(21)23)17(22)20-16(12(3)4)19(24)25-7/h10-12,16H,8-9H2,1-7H3,(H,20,22).
What are the key properties of methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate?
methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate has a molecular weight of 350.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate is sourced from PubChem (CID 67519919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).