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

C19H20N4O3 — CID 162805348

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

N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide (PubChem CID 162805348) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
• PubChem CID: 162805348
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide
• SMILES: CC(=O)Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1
• InChI: InChI=1S/C19H20N4O3/c1-12(24)21-16-5-6-17-14-8-13(10-23(17)19(16)26)9-22(11-14)18(25)15-4-2-3-7-20-15/h2-7,13-14H,8-11H2,1H3,(H,21,24)/t13-,14-/m1/s1
• InChIKey: GEBOCGKPZOOTQE-ZIAGYGMSSA-N
• XLogP: 1.46
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide (CID 162805348) is N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide.

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

The canonical SMILES for N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide is CC(=O)Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(C(=O)c2ccccn2)C1.

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

The InChIKey is GEBOCGKPZOOTQE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(24)21-16-5-6-17-14-8-13(10-23(17)19(16)26)9-22(11-14)18(25)15-4-2-3-7-20-15/h2-7,13-14H,8-11H2,1H3,(H,21,24)/t13-,14-/m1/s1.

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

N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9R)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]acetamide is sourced from PubChem (CID 162805348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).