N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

C28H25N5 — CID 118634361

About N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (PubChem CID 118634361) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
• PubChem CID: 118634361
• Molecular Formula: C28H25N5
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.21
• IUPAC Name: N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
• SMILES: Cc1cccc(-c2ncc(CNc3nccc4cc(-c5ccnc(C)c5)ncc34)cc2C)c1
• InChI: InChI=1S/C28H25N5/c1-18-5-4-6-24(11-18)27-19(2)12-21(15-32-27)16-33-28-25-17-31-26(14-22(25)7-10-30-28)23-8-9-29-20(3)13-23/h4-15,17H,16H2,1-3H3,(H,30,33)
• InChIKey: NUYWMNOBCIZEBE-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?

The IUPAC name of N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (CID 118634361) is N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

What is the SMILES notation for N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?

The canonical SMILES for N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is Cc1cccc(-c2ncc(CNc3nccc4cc(-c5ccnc(C)c5)ncc34)cc2C)c1.

What is the InChIKey of N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?

The InChIKey is NUYWMNOBCIZEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-18-5-4-6-24(11-18)27-19(2)12-21(15-32-27)16-33-28-25-17-31-26(14-22(25)7-10-30-28)23-8-9-29-20(3)13-23/h4-15,17H,16H2,1-3H3,(H,30,33).

What are the key properties of N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?

N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine has a molecular weight of 431.54 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 118634361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).