methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

C17H24N2O6 — CID 156664169

IUPACmethyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C17H24N2O6/c1-16(2,3)24-14(21)19(15(22)25-17(4,5)6)11-8-9-18-12(10-11)13(20)23-7/h8-10H,1-7H3
InChIKeyYWCQWFMDCBYKAH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.54
Rot. Bonds2

About methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (PubChem CID 156664169) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
PubChem CID156664169
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Namemethyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C17H24N2O6/c1-16(2,3)24-14(21)19(15(22)25-17(4,5)6)11-8-9-18-12(10-11)13(20)23-7/h8-10H,1-7H3
InChIKeyYWCQWFMDCBYKAH-UHFFFAOYSA-N
XLogP3.54
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (CID 156664169) is methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is COC(=O)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccn1.
What is the InChIKey of methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The InChIKey is YWCQWFMDCBYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-16(2,3)24-14(21)19(15(22)25-17(4,5)6)11-8-9-18-12(10-11)13(20)23-7/h8-10H,1-7H3.
What are the key properties of methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 156664169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).