1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C19H25FN6O — CID 147468873

About 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 147468873) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

• Compound Name: 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
• PubChem CID: 147468873
• Molecular Formula: C19H25FN6O
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.21
• IUPAC Name: 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
• SMILES: C/N=C/C(=CN)c1cc(F)cc(/N=C(\N)C2=C(NC)CCN(C(C)=O)C2)c1
• InChI: InChI=1S/C19H25FN6O/c1-12(27)26-5-4-18(24-3)17(11-26)19(22)25-16-7-13(6-15(20)8-16)14(9-21)10-23-2/h6-10,24H,4-5,11,21H2,1-3H3,(H2,22,25)/b14-9?,23-10+
• InChIKey: CWWUYPAXOANYJW-VRJDLRBISA-N
• XLogP: 1.54
• TPSA: 109.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.45
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The IUPAC name of 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 147468873) is 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

What is the SMILES notation for 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The canonical SMILES for 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is C/N=C/C(=CN)c1cc(F)cc(/N=C(\N)C2=C(NC)CCN(C(C)=O)C2)c1.

What is the InChIKey of 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

The InChIKey is CWWUYPAXOANYJW-VRJDLRBISA-N. The full InChI is InChI=1S/C19H25FN6O/c1-12(27)26-5-4-18(24-3)17(11-26)19(22)25-16-7-13(6-15(20)8-16)14(9-21)10-23-2/h6-10,24H,4-5,11,21H2,1-3H3,(H2,22,25)/b14-9?,23-10+.

What are the key properties of 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?

1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 372.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N'-[3-(1-amino-3-methyliminoprop-1-en-2-yl)-5-fluorophenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 147468873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).