6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile

C32H26N4S — CID 163837403

About 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile

6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile (PubChem CID 163837403) has the molecular formula C32H26N4S and a molecular weight of 498.66 g/mol. Its IUPAC name is 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile
• PubChem CID: 163837403
• Molecular Formula: C32H26N4S
• Molecular Weight: 498.66 g/mol
• Exact Mass: 498.19
• IUPAC Name: 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(CCC(CCc2ccc(C#N)c(-c3cccc4ccccc34)c2)Cc2cncs2)nc1
• InChI: InChI=1S/C32H26N4S/c33-18-25-12-15-28(36-20-25)14-11-23(16-29-21-35-22-37-29)8-9-24-10-13-27(19-34)32(17-24)31-7-3-5-26-4-1-2-6-30(26)31/h1-7,10,12-13,15,17,20-23H,8-9,11,14,16H2
• InChIKey: OIZANAOWBVQMLX-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 73.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.66
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile (CID 163837403) is 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile is N#Cc1ccc(CCC(CCc2ccc(C#N)c(-c3cccc4ccccc34)c2)Cc2cncs2)nc1.

What is the InChIKey of 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile?

The InChIKey is OIZANAOWBVQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4S/c33-18-25-12-15-28(36-20-25)14-11-23(16-29-21-35-22-37-29)8-9-24-10-13-27(19-34)32(17-24)31-7-3-5-26-4-1-2-6-30(26)31/h1-7,10,12-13,15,17,20-23H,8-9,11,14,16H2.

What are the key properties of 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile?

6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile has a molecular weight of 498.66 g/mol, XLogP of 7.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(4-cyano-3-naphthalen-1-ylphenyl)-3-(1,3-thiazol-5-ylmethyl)pentyl]pyridine-3-carbonitrile is sourced from PubChem (CID 163837403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).