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

C24H23FN4O2 — CID 162982002

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

N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (PubChem CID 162982002) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• PubChem CID: 162982002
• Molecular Formula: C24H23FN4O2
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.18
• IUPAC Name: N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccncc1
• InChI: InChI=1S/C24H23FN4O2/c25-20-3-1-16(2-4-20)12-28-13-17-11-19(15-28)22-6-5-21(24(31)29(22)14-17)27-23(30)18-7-9-26-10-8-18/h1-10,17,19H,11-15H2,(H,27,30)/t17-,19-/m1/s1
• InChIKey: SABVWMRXLZOCQT-IEBWSBKVSA-N
• XLogP: 3.25
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide (CID 162982002) is N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is O=C(Nc1ccc2n(c1=O)C[C@@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1)c1ccncc1.

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

The InChIKey is SABVWMRXLZOCQT-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-20-3-1-16(2-4-20)12-28-13-17-11-19(15-28)22-6-5-21(24(31)29(22)14-17)27-23(30)18-7-9-26-10-8-18/h1-10,17,19H,11-15H2,(H,27,30)/t17-,19-/m1/s1.

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

N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9R)-11-[(4-fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162982002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).