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

C27H29N3OS — CID 144927816

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

ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (PubChem CID 144927816) has the molecular formula C27H29N3OS and a molecular weight of 443.62 g/mol. Its IUPAC name is ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
• PubChem CID: 144927816
• Molecular Formula: C27H29N3OS
• Molecular Weight: 443.62 g/mol
• Exact Mass: 443.20
• IUPAC Name: ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
• SMILES: CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)=C(C#N)C1
• InChI: InChI=1S/C25H23N3OS.C2H6/c1-27-9-8-23(21(16-26)17-27)25-7-6-24(30-25)20-3-2-19-15-22(5-4-18(19)14-20)28-10-12-29-13-11-28;1-2/h2-9,14-15H,10-13,17H2,1H3;1-2H3
• InChIKey: MIHHKORYLFIUSN-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 39.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.62
LogP ≤ 5	6.17
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-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile?

The IUPAC name of ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile (CID 144927816) is ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile.

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

The canonical SMILES for ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is CC.CN1C=CC(c2ccc(-c3ccc4cc(N5CCOCC5)ccc4c3)s2)=C(C#N)C1.

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

The InChIKey is MIHHKORYLFIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS.C2H6/c1-27-9-8-23(21(16-26)17-27)25-7-6-24(30-25)20-3-2-19-15-22(5-4-18(19)14-20)28-10-12-29-13-11-28;1-2/h2-9,14-15H,10-13,17H2,1H3;1-2H3.

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

ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile has a molecular weight of 443.62 g/mol, XLogP of 6.17, 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-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 144927816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).