N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide

C24H23N5O4 — CID 78452004

About N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide

N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide (PubChem CID 78452004) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide
• PubChem CID: 78452004
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide
• SMILES: COc1ccc(C(=O)N2CC3CC(C2)c2ccc(NC(=O)c4cnccn4)c(=O)n2C3)cc1
• InChI: InChI=1S/C24H23N5O4/c1-33-18-4-2-16(3-5-18)23(31)28-12-15-10-17(14-28)21-7-6-19(24(32)29(21)13-15)27-22(30)20-11-25-8-9-26-20/h2-9,11,15,17H,10,12-14H2,1H3,(H,27,30)
• InChIKey: GWSMPPGTOXYYJK-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide (CID 78452004) is N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide is COc1ccc(C(=O)N2CC3CC(C2)c2ccc(NC(=O)c4cnccn4)c(=O)n2C3)cc1.

What is the InChIKey of N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide?

The InChIKey is GWSMPPGTOXYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-33-18-4-2-16(3-5-18)23(31)28-12-15-10-17(14-28)21-7-6-19(24(32)29(21)13-15)27-22(30)20-11-25-8-9-26-20/h2-9,11,15,17H,10,12-14H2,1H3,(H,27,30).

What are the key properties of N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide?

N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(4-methoxybenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 78452004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).