4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate

C14H18N2O5 — CID 131997252

IUPAC4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
SMILESCNC(=O)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC)n1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-12(18)8-6-9(11(17)15-4)16-10(7-8)13(19)20-5/h6-7H,1-5H3,(H,15,17)
InChIKeyDQQCIMSHDYLRRW-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.18
Rot. Bonds3

About 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate

4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate (PubChem CID 131997252) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
PubChem CID131997252
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
SMILESCNC(=O)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC)n1
InChIInChI=1S/C14H18N2O5/c1-14(2,3)21-12(18)8-6-9(11(17)15-4)16-10(7-8)13(19)20-5/h6-7H,1-5H3,(H,15,17)
InChIKeyDQQCIMSHDYLRRW-UHFFFAOYSA-N
XLogP1.18
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate (CID 131997252) is 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate is CNC(=O)c1cc(C(=O)OC(C)(C)C)cc(C(=O)OC)n1.
What is the InChIKey of 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate?
The InChIKey is DQQCIMSHDYLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(2,3)21-12(18)8-6-9(11(17)15-4)16-10(7-8)13(19)20-5/h6-7H,1-5H3,(H,15,17).
What are the key properties of 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate?
4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate has a molecular weight of 294.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate is sourced from PubChem (CID 131997252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).