ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile

C32H43N3O2 — CID 144928163

About ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile

ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile (PubChem CID 144928163) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile
• PubChem CID: 144928163
• Molecular Formula: C32H43N3O2
• Molecular Weight: 501.72 g/mol
• Exact Mass: 501.34
• IUPAC Name: ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile
• SMILES: CC.CC(C)(C)OCCC(C)(C)Oc1nccc(-c2ccc3cc(N4CCCCC4)ccc3c2)c1C#N
• InChI: InChI=1S/C30H37N3O2.C2H6/c1-29(2,3)34-18-14-30(4,5)35-28-27(21-31)26(13-15-32-28)24-10-9-23-20-25(12-11-22(23)19-24)33-16-7-6-8-17-33;1-2/h9-13,15,19-20H,6-8,14,16-18H2,1-5H3;1-2H3
• InChIKey: HJNRLWRMZSFFPI-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 58.38 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.72
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile?

The IUPAC name of ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile (CID 144928163) is ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile.

What is the SMILES notation for ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile?

The canonical SMILES for ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile is CC.CC(C)(C)OCCC(C)(C)Oc1nccc(-c2ccc3cc(N4CCCCC4)ccc3c2)c1C#N.

What is the InChIKey of ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile?

The InChIKey is HJNRLWRMZSFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O2.C2H6/c1-29(2,3)34-18-14-30(4,5)35-28-27(21-31)26(13-15-32-28)24-10-9-23-20-25(12-11-22(23)19-24)33-16-7-6-8-17-33;1-2/h9-13,15,19-20H,6-8,14,16-18H2,1-5H3;1-2H3.

What are the key properties of ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile?

ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile has a molecular weight of 501.72 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-(6-piperidin-1-ylnaphthalen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 144928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).