N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

C24H21F4N5O2 — CID 143445194

About N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (PubChem CID 143445194) has the molecular formula C24H21F4N5O2 and a molecular weight of 487.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
• PubChem CID: 143445194
• Molecular Formula: C24H21F4N5O2
• Molecular Weight: 487.46 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1
• InChI: InChI=1S/C24H21F4N5O2/c25-17-8-6-16(7-9-17)14-29-22(34)20-10-11-21(31-30-20)32-12-3-13-33(15-32)23(35)18-4-1-2-5-19(18)24(26,27)28/h1-2,4-11H,3,12-15H2,(H,29,34)
• InChIKey: BDWKMUZKGBDKCS-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.46
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide (CID 143445194) is N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nn1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

The InChIKey is BDWKMUZKGBDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O2/c25-17-8-6-16(7-9-17)14-29-22(34)20-10-11-21(31-30-20)32-12-3-13-33(15-32)23(35)18-4-1-2-5-19(18)24(26,27)28/h1-2,4-11H,3,12-15H2,(H,29,34).

What are the key properties of N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide?

N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 143445194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).