N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

C29H25N3O3 — CID 162801744

About N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide (PubChem CID 162801744) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
• PubChem CID: 162801744
• Molecular Formula: C29H25N3O3
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide
• SMILES: O=C(Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1)c1ccccc1
• InChI: InChI=1S/C29H25N3O3/c33-27(21-7-2-1-3-8-21)30-25-12-13-26-24-14-19(17-32(26)29(25)35)16-31(18-24)28(34)23-11-10-20-6-4-5-9-22(20)15-23/h1-13,15,19,24H,14,16-18H2,(H,30,33)/t19-,24-/m1/s1
• InChIKey: YXNXFOOKZHIFMO-NTKDMRAZSA-N
• XLogP: 4.51
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide?

The IUPAC name of N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide (CID 162801744) is N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide.

What is the SMILES notation for N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide?

The canonical SMILES for N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide is O=C(Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1)c1ccccc1.

What is the InChIKey of N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide?

The InChIKey is YXNXFOOKZHIFMO-NTKDMRAZSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-27(21-7-2-1-3-8-21)30-25-12-13-26-24-14-19(17-32(26)29(25)35)16-31(18-24)28(34)23-11-10-20-6-4-5-9-22(20)15-23/h1-13,15,19,24H,14,16-18H2,(H,30,33)/t19-,24-/m1/s1.

What are the key properties of N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide?

N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9R)-11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide is sourced from PubChem (CID 162801744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).