ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile

C28H31N3S — CID 144927699

About ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile

ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (PubChem CID 144927699) has the molecular formula C28H31N3S and a molecular weight of 441.64 g/mol. Its IUPAC name is ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
• PubChem CID: 144927699
• Molecular Formula: C28H31N3S
• Molecular Weight: 441.64 g/mol
• Exact Mass: 441.22
• IUPAC Name: ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
• SMILES: CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCCCC5)ccc4c3)s2)=C(C#N)C1
• InChI: InChI=1S/C26H25N3S.C2H6/c1-28-14-11-24(22(17-27)18-28)26-10-9-25(30-26)21-6-5-20-16-23(8-7-19(20)15-21)29-12-3-2-4-13-29;1-2/h5-11,14-16H,2-4,12-13,18H2,1H3;1-2H3
• InChIKey: VSVOKHCALRUYFY-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 30.27 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.64
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (CID 144927699) is ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.

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

The canonical SMILES for ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCCCC5)ccc4c3)s2)=C(C#N)C1.

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

The InChIKey is VSVOKHCALRUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3S.C2H6/c1-28-14-11-24(22(17-27)18-28)26-10-9-25(30-26)21-6-5-20-16-23(8-7-19(20)15-21)29-12-3-2-4-13-29;1-2/h5-11,14-16H,2-4,12-13,18H2,1H3;1-2H3.

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

ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile has a molecular weight of 441.64 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 144927699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).