6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide

C23H28FN7O3 — CID 144636242

About 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide

6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 144636242) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 144636242
• Molecular Formula: C23H28FN7O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.22
• IUPAC Name: 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: Cc1c(CCN2CCC(NC(=O)c3ccc(N(N)/C=N\N)nc3)C(F)C2)ccc2c1COC2=O
• InChI: InChI=1S/C23H28FN7O3/c1-14-15(2-4-17-18(14)12-34-23(17)33)6-8-30-9-7-20(19(24)11-30)29-22(32)16-3-5-21(27-10-16)31(26)13-28-25/h2-5,10,13,19-20H,6-9,11-12,25-26H2,1H3,(H,29,32)/b28-13-
• InChIKey: ACFXTEYSSLVACB-QDTIIGTASA-N
• XLogP: 1.03
• TPSA: 139.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide (CID 144636242) is 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1c(CCN2CCC(NC(=O)c3ccc(N(N)/C=N\N)nc3)C(F)C2)ccc2c1COC2=O.

What is the InChIKey of 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is ACFXTEYSSLVACB-QDTIIGTASA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-14-15(2-4-17-18(14)12-34-23(17)33)6-8-30-9-7-20(19(24)11-30)29-22(32)16-3-5-21(27-10-16)31(26)13-28-25/h2-5,10,13,19-20H,6-9,11-12,25-26H2,1H3,(H,29,32)/b28-13-.

What are the key properties of 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide?

6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[amino-[(Z)-hydrazinylidenemethyl]amino]-N-[3-fluoro-1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 144636242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).