N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine

C45H47F2N13O7 — CID 160900484

About N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine

N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine (PubChem CID 160900484) has the molecular formula C45H47F2N13O7 and a molecular weight of 919.95 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine
• PubChem CID: 160900484
• Molecular Formula: C45H47F2N13O7
• Molecular Weight: 919.95 g/mol
• Exact Mass: 919.37
• IUPAC Name: N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine
• SMILES: C.CCCN.Cn1nc(C(=O)NCc2ccc(F)cc2)c(=NO)c2ncccc21.Cn1nc(C(=O)NCc2ccc(F)cc2)c(=O)c2ncccc21.Cn1nc(C(=O)O)c(=O)c2ncccc21
• InChI: InChI=1S/C16H14FN5O2.C16H13FN4O2.C9H7N3O3.C3H9N.CH4/c1-22-12-3-2-8-18-13(12)14(21-24)15(20-22)16(23)19-9-10-4-6-11(17)7-5-10;1-21-12-3-2-8-18-13(12)15(22)14(20-21)16(23)19-9-10-4-6-11(17)7-5-10;1-12-5-3-2-4-10-6(5)8(13)7(11-12)9(14)15;1-2-3-4;/h2-8,24H,9H2,1H3,(H,19,23);2-8H,9H2,1H3,(H,19,23);2-4H,1H3,(H,14,15);2-4H2,1H3;1H4
• InChIKey: SPKYDKPXVMVSLG-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 280.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.95
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine?

The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine (CID 160900484) is N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine is C.CCCN.Cn1nc(C(=O)NCc2ccc(F)cc2)c(=NO)c2ncccc21.Cn1nc(C(=O)NCc2ccc(F)cc2)c(=O)c2ncccc21.Cn1nc(C(=O)O)c(=O)c2ncccc21.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine?

The InChIKey is SPKYDKPXVMVSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2.C16H13FN4O2.C9H7N3O3.C3H9N.CH4/c1-22-12-3-2-8-18-13(12)14(21-24)15(20-22)16(23)19-9-10-4-6-11(17)7-5-10;1-21-12-3-2-8-18-13(12)15(22)14(20-21)16(23)19-9-10-4-6-11(17)7-5-10;1-12-5-3-2-4-10-6(5)8(13)7(11-12)9(14)15;1-2-3-4;/h2-8,24H,9H2,1H3,(H,19,23);2-8H,9H2,1H3,(H,19,23);2-4H,1H3,(H,14,15);2-4H2,1H3;1H4.

What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine?

N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine has a molecular weight of 919.95 g/mol, XLogP of 3.74, 8 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-4-hydroxyimino-1-methylpyrido[3,2-c]pyridazine-3-carboxamide;N-[(4-fluorophenyl)methyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;methane;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid;propan-1-amine is sourced from PubChem (CID 160900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).