N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide

C25H26N4O2 — CID 75950222

About N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide

N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 75950222) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide
• PubChem CID: 75950222
• Molecular Formula: C25H26N4O2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)Nc1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)nc1
• InChI: InChI=1S/C25H26N4O2/c30-24(12-9-18-5-2-1-3-6-18)27-21-10-11-23(26-14-21)28-15-19-13-20(17-28)22-7-4-8-25(31)29(22)16-19/h1-8,10-11,14,19-20H,9,12-13,15-17H2,(H,27,30)
• InChIKey: ASCWIVGRPNEZAR-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide?

The IUPAC name of N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide (CID 75950222) is N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide.

What is the SMILES notation for N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide?

The canonical SMILES for N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)nc1.

What is the InChIKey of N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide?

The InChIKey is ASCWIVGRPNEZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(12-9-18-5-2-1-3-6-18)27-21-10-11-23(26-14-21)28-15-19-13-20(17-28)22-7-4-8-25(31)29(22)16-19/h1-8,10-11,14,19-20H,9,12-13,15-17H2,(H,27,30).

What are the key properties of N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide?

N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 414.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 75950222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).