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

C17H26N2O4 — CID 67520241

IUPACmethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)OC)c1=O
InChIInChI=1S/C17H26N2O4/c1-7-8-9-19-12(3)11(2)10-13(15(19)21)14(20)18-17(4,5)16(22)23-6/h10H,7-9H2,1-6H3,(H,18,20)
InChIKeyJSNVXUOFIOGKGO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.95
Rot. Bonds6

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

methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 67520241) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate
PubChem CID67520241
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Namemethyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)OC)c1=O
InChIInChI=1S/C17H26N2O4/c1-7-8-9-19-12(3)11(2)10-13(15(19)21)14(20)18-17(4,5)16(22)23-6/h10H,7-9H2,1-6H3,(H,18,20)
InChIKeyJSNVXUOFIOGKGO-UHFFFAOYSA-N
XLogP1.95
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate (CID 67520241) is methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate is CCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)OC)c1=O.
What is the InChIKey of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is JSNVXUOFIOGKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-7-8-9-19-12(3)11(2)10-13(15(19)21)14(20)18-17(4,5)16(22)23-6/h10H,7-9H2,1-6H3,(H,18,20).
What are the key properties of methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 322.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 67520241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).