ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile

C28H32N4O — CID 156709072

About ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile

ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile (PubChem CID 156709072) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile
• PubChem CID: 156709072
• Molecular Formula: C28H32N4O
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.26
• IUPAC Name: ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile
• SMILES: CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)o2)=C(C#N)C1
• InChI: InChI=1S/C26H26N4O.C2H6/c1-28-11-13-30(14-12-28)23-6-5-19-15-21(4-3-20(19)16-23)25-7-8-26(31-25)24-9-10-29(2)18-22(24)17-27;1-2/h3-10,15-16H,11-14,18H2,1-2H3;1-2H3
• InChIKey: BMGDHRFNPPQSAD-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 46.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile?

The IUPAC name of ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile (CID 156709072) is ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile.

What is the SMILES notation for ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile?

The canonical SMILES for ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile is CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCN(C)CC5)ccc4c3)o2)=C(C#N)C1.

What is the InChIKey of ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile?

The InChIKey is BMGDHRFNPPQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O.C2H6/c1-28-11-13-30(14-12-28)23-6-5-19-15-21(4-3-20(19)16-23)25-7-8-26(31-25)24-9-10-29(2)18-22(24)17-27;1-2/h3-10,15-16H,11-14,18H2,1-2H3;1-2H3.

What are the key properties of ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile?

ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile has a molecular weight of 440.59 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 156709072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).