N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

C24H20N4O3 — CID 10295152

About N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (PubChem CID 10295152) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• PubChem CID: 10295152
• Molecular Formula: C24H20N4O3
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.15
• IUPAC Name: N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• SMILES: Cc1cc2c3c(c1)C(O)CN3C(=O)[C@H](NC(=O)c1ccncc1)N=C2c1ccccc1
• InChI: InChI=1S/C24H20N4O3/c1-14-11-17-19(29)13-28-21(17)18(12-14)20(15-5-3-2-4-6-15)26-22(24(28)31)27-23(30)16-7-9-25-10-8-16/h2-12,19,22,29H,13H2,1H3,(H,27,30)/t19?,22-/m0/s1
• InChIKey: UOZLGPJDXFFYJK-BPARTEKVSA-N
• XLogP: 2.38
• TPSA: 94.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (CID 10295152) is N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is Cc1cc2c3c(c1)C(O)CN3C(=O)[C@H](NC(=O)c1ccncc1)N=C2c1ccccc1.

What is the InChIKey of N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The InChIKey is UOZLGPJDXFFYJK-BPARTEKVSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-14-11-17-19(29)13-28-21(17)18(12-14)20(15-5-3-2-4-6-15)26-22(24(28)31)27-23(30)16-7-9-25-10-8-16/h2-12,19,22,29H,13H2,1H3,(H,27,30)/t19?,22-/m0/s1.

What are the key properties of N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(11R)-3-hydroxy-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).