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

C25H19IN6 — CID 130368685

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

N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (PubChem CID 130368685) has the molecular formula C25H19IN6 and a molecular weight of 530.37 g/mol. Its IUPAC name is N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
• PubChem CID: 130368685
• Molecular Formula: C25H19IN6
• Molecular Weight: 530.37 g/mol
• Exact Mass: 530.07
• IUPAC Name: N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
• SMILES: Cc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(I)c5)nc4)c3cn2)ccn1
• InChI: InChI=1S/C25H19IN6/c1-16-10-19(5-7-27-16)23-11-18-4-9-29-25(21(18)15-31-23)32-14-17-2-3-22(30-13-17)20-6-8-28-24(26)12-20/h2-13,15H,14H2,1H3,(H,29,32)
• InChIKey: KBVFPJGQBXAMCG-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 76.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.37
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (CID 130368685) is N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

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

The canonical SMILES for N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is Cc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(I)c5)nc4)c3cn2)ccn1.

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

The InChIKey is KBVFPJGQBXAMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19IN6/c1-16-10-19(5-7-27-16)23-11-18-4-9-29-25(21(18)15-31-23)32-14-17-2-3-22(30-13-17)20-6-8-28-24(26)12-20/h2-13,15H,14H2,1H3,(H,29,32).

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

N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine has a molecular weight of 530.37 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 130368685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).