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

C24H23N5O3 — CID 11887502

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

N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide (PubChem CID 11887502) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide
• PubChem CID: 11887502
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1
• InChI: InChI=1S/C24H23N5O3/c30-22(11-16-4-2-1-3-5-16)27-19-6-7-21-18-10-17(14-29(21)24(19)32)13-28(15-18)23(31)20-12-25-8-9-26-20/h1-9,12,17-18H,10-11,13-15H2,(H,27,30)/t17-,18+/m0/s1
• InChIKey: GEZGPHLNDMPBEU-ZWKOTPCHSA-N
• XLogP: 2.08
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide (CID 11887502) is N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide.

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

The canonical SMILES for N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1.

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

The InChIKey is GEZGPHLNDMPBEU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-22(11-16-4-2-1-3-5-16)27-19-6-7-21-18-10-17(14-29(21)24(19)32)13-28(15-18)23(31)20-12-25-8-9-26-20/h1-9,12,17-18H,10-11,13-15H2,(H,27,30)/t17-,18+/m0/s1.

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

N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide has a molecular weight of 429.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9S)-6-oxo-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenylacetamide is sourced from PubChem (CID 11887502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).