bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate

C23H35N3O6 — CID 4022613

IUPACbis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)n1)C(C)C
InChIInChI=1S/C23H35N3O6/c1-14(2)25(15(3)4)20(27)12-31-22(29)18-10-9-11-19(24-18)23(30)32-13-21(28)26(16(5)6)17(7)8/h9-11,14-17H,12-13H2,1-8H3
InChIKeyKHSXJRPZJXLZCI-UHFFFAOYSA-N
MW449.55 g/mol
LogP2.69
Rot. Bonds10

About bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate

bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate (PubChem CID 4022613) has the molecular formula C23H35N3O6 and a molecular weight of 449.55 g/mol. Its IUPAC name is bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate
PubChem CID4022613
Molecular FormulaC23H35N3O6
Molecular Weight449.55 g/mol
Exact Mass449.25
IUPAC Namebis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)n1)C(C)C
InChIInChI=1S/C23H35N3O6/c1-14(2)25(15(3)4)20(27)12-31-22(29)18-10-9-11-19(24-18)23(30)32-13-21(28)26(16(5)6)17(7)8/h9-11,14-17H,12-13H2,1-8H3
InChIKeyKHSXJRPZJXLZCI-UHFFFAOYSA-N
XLogP2.69
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate (CID 4022613) is bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate is CC(C)N(C(=O)COC(=O)c1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)n1)C(C)C.
What is the InChIKey of bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate?
The InChIKey is KHSXJRPZJXLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O6/c1-14(2)25(15(3)4)20(27)12-31-22(29)18-10-9-11-19(24-18)23(30)32-13-21(28)26(16(5)6)17(7)8/h9-11,14-17H,12-13H2,1-8H3.
What are the key properties of bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate?
bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate has a molecular weight of 449.55 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[di(propan-2-yl)amino]-2-oxoethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 4022613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).