8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C30H31N5O — CID 156529623

About 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 156529623) has the molecular formula C30H31N5O and a molecular weight of 477.61 g/mol. Its IUPAC name is 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
• PubChem CID: 156529623
• Molecular Formula: C30H31N5O
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.25
• IUPAC Name: 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
• SMILES: Cc1ccc(C(c2ccc(C)cc2)N2CCN(c3cc(=O)n(C)c4ccc(C#N)nc34)C(C)C2)cc1
• InChI: InChI=1S/C30H31N5O/c1-20-5-9-23(10-6-20)30(24-11-7-21(2)8-12-24)34-15-16-35(22(3)19-34)27-17-28(36)33(4)26-14-13-25(18-31)32-29(26)27/h5-14,17,22,30H,15-16,19H2,1-4H3
• InChIKey: DRMYUHWDGOQBTG-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 65.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?

The IUPAC name of 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 156529623) is 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

What is the SMILES notation for 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?

The canonical SMILES for 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is Cc1ccc(C(c2ccc(C)cc2)N2CCN(c3cc(=O)n(C)c4ccc(C#N)nc34)C(C)C2)cc1.

What is the InChIKey of 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?

The InChIKey is DRMYUHWDGOQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O/c1-20-5-9-23(10-6-20)30(24-11-7-21(2)8-12-24)34-15-16-35(22(3)19-34)27-17-28(36)33(4)26-14-13-25(18-31)32-29(26)27/h5-14,17,22,30H,15-16,19H2,1-4H3.

What are the key properties of 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?

8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 477.61 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[bis(4-methylphenyl)methyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 156529623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).