propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate

C25H34N4O5 — CID 69167998

About propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate

propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 69167998) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate
• PubChem CID: 69167998
• Molecular Formula: C25H34N4O5
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.25
• IUPAC Name: propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate
• SMILES: CC(C)OC(=O)c1cc(C#N)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCC1=O
• InChI: InChI=1S/C25H34N4O5/c1-16(2)33-24(32)19-13-18(14-26)22(27-20(19)15-29-10-6-7-21(29)30)28-11-8-17(9-12-28)23(31)34-25(3,4)5/h13,16-17H,6-12,15H2,1-5H3
• InChIKey: HBKZVJVQWUJCQS-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 112.83 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate?

The IUPAC name of propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate (CID 69167998) is propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate.

What is the SMILES notation for propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate?

The canonical SMILES for propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate is CC(C)OC(=O)c1cc(C#N)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCC1=O.

What is the InChIKey of propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate?

The InChIKey is HBKZVJVQWUJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-16(2)33-24(32)19-13-18(14-26)22(27-20(19)15-29-10-6-7-21(29)30)28-11-8-17(9-12-28)23(31)34-25(3,4)5/h13,16-17H,6-12,15H2,1-5H3.

What are the key properties of propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate?

propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopyrrolidin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 69167998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).