6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine

C24H16ClN5 — CID 163563378

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine (PubChem CID 163563378) has the molecular formula C24H16ClN5 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine.

Molecular Properties

• Compound Name: 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
• PubChem CID: 163563378
• Molecular Formula: C24H16ClN5
• Molecular Weight: 409.88 g/mol
• Exact Mass: 409.11
• IUPAC Name: 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
• SMILES: [C-]#[N+]c1ccc2[nH]c(-c3nc4c(cc3-c3cc(C)nc(Cl)c3)C=CC(=C)N4)cc2c1
• InChI: InChI=1S/C24H16ClN5/c1-13-4-5-15-10-19(16-8-14(2)27-22(25)12-16)23(30-24(15)28-13)21-11-17-9-18(26-3)6-7-20(17)29-21/h4-12,29H,1H2,2H3,(H,28,30)
• InChIKey: OYIXSJKHQPHBIR-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 57.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.88
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?

The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine (CID 163563378) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine.

What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?

The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine is [C-]#[N+]c1ccc2[nH]c(-c3nc4c(cc3-c3cc(C)nc(Cl)c3)C=CC(=C)N4)cc2c1.

What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?

The InChIKey is OYIXSJKHQPHBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5/c1-13-4-5-15-10-19(16-8-14(2)27-22(25)12-16)23(30-24(15)28-13)21-11-17-9-18(26-3)6-7-20(17)29-21/h4-12,29H,1H2,2H3,(H,28,30).

What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine has a molecular weight of 409.88 g/mol, XLogP of 6.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine is sourced from PubChem (CID 163563378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).