tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C26H30N4O4 — CID 56960123

About tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 56960123) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 56960123
• Molecular Formula: C26H30N4O4
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.23
• IUPAC Name: tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: Cc1nc(-c2ccc(OCc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4C)cn3)cc2)no1
• InChI: InChI=1S/C26H30N4O4/c1-17-15-30(25(31)33-26(3,4)5)13-12-23(17)20-6-9-21(27-14-20)16-32-22-10-7-19(8-11-22)24-28-18(2)34-29-24/h6-12,14,17H,13,15-16H2,1-5H3
• InChIKey: KUPMXRBLGIUGGF-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 90.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 56960123) is tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1nc(-c2ccc(OCc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4C)cn3)cc2)no1.

What is the InChIKey of tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is KUPMXRBLGIUGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-17-15-30(25(31)33-26(3,4)5)13-12-23(17)20-6-9-21(27-14-20)16-32-22-10-7-19(8-11-22)24-28-18(2)34-29-24/h6-12,14,17H,13,15-16H2,1-5H3.

What are the key properties of tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-methyl-4-[6-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 56960123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).