2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine

C28H25N5 — CID 174650686

About 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine

2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine (PubChem CID 174650686) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine.

Molecular Properties

• Compound Name: 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine
• PubChem CID: 174650686
• Molecular Formula: C28H25N5
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.21
• IUPAC Name: 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine
• SMILES: Cc1cc(-c2ccc(CCNc3nccc4nc(-c5ccnc(C)c5)ccc34)cc2)ccn1
• InChI: InChI=1S/C28H25N5/c1-19-17-23(10-14-29-19)22-5-3-21(4-6-22)9-13-31-28-25-7-8-26(33-27(25)12-16-32-28)24-11-15-30-20(2)18-24/h3-8,10-12,14-18H,9,13H2,1-2H3,(H,31,32)
• InChIKey: BJKJCLHSFLSLCU-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine (CID 174650686) is 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine.

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

The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine is Cc1cc(-c2ccc(CCNc3nccc4nc(-c5ccnc(C)c5)ccc34)cc2)ccn1.

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

The InChIKey is BJKJCLHSFLSLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-19-17-23(10-14-29-19)22-5-3-21(4-6-22)9-13-31-28-25-7-8-26(33-27(25)12-16-32-28)24-11-15-30-20(2)18-24/h3-8,10-12,14-18H,9,13H2,1-2H3,(H,31,32).

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

2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine has a molecular weight of 431.54 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 174650686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).