methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate

C13H16N2O4 — CID 156750199

IUPACmethyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)C2CCC(C)O2)n1
InChIInChI=1S/C13H16N2O4/c1-8-6-7-10(19-8)12(16)15-11-5-3-4-9(14-11)13(17)18-2/h3-5,8,10H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyKXDSWJNZZFYTFE-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.37
Rot. Bonds3

About methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate

methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 156750199) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
PubChem CID156750199
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)C2CCC(C)O2)n1
InChIInChI=1S/C13H16N2O4/c1-8-6-7-10(19-8)12(16)15-11-5-3-4-9(14-11)13(17)18-2/h3-5,8,10H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyKXDSWJNZZFYTFE-UHFFFAOYSA-N
XLogP1.37
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate (CID 156750199) is methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)C2CCC(C)O2)n1.
What is the InChIKey of methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is KXDSWJNZZFYTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-6-7-10(19-8)12(16)15-11-5-3-4-9(14-11)13(17)18-2/h3-5,8,10H,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 156750199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).