5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C27H23N3O2 — CID 73133765

About 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 73133765) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 73133765
• Molecular Formula: C27H23N3O2
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.18
• IUPAC Name: 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=C(c1ccncc1)N1CC2CC(C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2
• InChI: InChI=1S/C27H23N3O2/c31-26(20-9-11-28-12-10-20)29-15-18-13-23(17-29)25-8-7-24(27(32)30(25)16-18)22-6-5-19-3-1-2-4-21(19)14-22/h1-12,14,18,23H,13,15-17H2
• InChIKey: URUYDHDCLYJDOG-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 73133765) is 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=C(c1ccncc1)N1CC2CC(C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2.

What is the InChIKey of 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is URUYDHDCLYJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-26(20-9-11-28-12-10-20)29-15-18-13-23(17-29)25-8-7-24(27(32)30(25)16-18)22-6-5-19-3-1-2-4-21(19)14-22/h1-12,14,18,23H,13,15-17H2.

What are the key properties of 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 421.50 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-11-(pyridine-4-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 73133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).