ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate

C19H28N2O6 — CID 86672285

IUPACethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C19H28N2O6/c1-8-25-16(23)13-10-9-11-14(20-13)21(17(24)27-19(5,6)7)12-15(22)26-18(2,3)4/h9-11H,8,12H2,1-7H3
InChIKeyKNGUTZZKUTZMDJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.34
Rot. Bonds5

About ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate

ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate (PubChem CID 86672285) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate
PubChem CID86672285
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Nameethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1
InChIInChI=1S/C19H28N2O6/c1-8-25-16(23)13-10-9-11-14(20-13)21(17(24)27-19(5,6)7)12-15(22)26-18(2,3)4/h9-11H,8,12H2,1-7H3
InChIKeyKNGUTZZKUTZMDJ-UHFFFAOYSA-N
XLogP3.34
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.34
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 ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate (CID 86672285) is ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate is CCOC(=O)c1cccc(N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate?
The InChIKey is KNGUTZZKUTZMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-8-25-16(23)13-10-9-11-14(20-13)21(17(24)27-19(5,6)7)12-15(22)26-18(2,3)4/h9-11H,8,12H2,1-7H3.
What are the key properties of ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate?
ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 86672285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).