N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide

C17H17N7O4 — CID 122288549

About N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 122288549) has the molecular formula C17H17N7O4 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
• PubChem CID: 122288549
• Molecular Formula: C17H17N7O4
• Molecular Weight: 383.37 g/mol
• Exact Mass: 383.13
• IUPAC Name: N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide
• SMILES: Cc1ccnc(Nc2ccc(NCCNC(=O)c3ccc([N+](=O)[O-])o3)nn2)c1
• InChI: InChI=1S/C17H17N7O4/c1-11-6-7-18-15(10-11)21-14-4-3-13(22-23-14)19-8-9-20-17(25)12-2-5-16(28-12)24(26)27/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,25)(H,18,21,23)
• InChIKey: FFUZXQGZTCJCOW-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 148.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.37
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?

The IUPAC name of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide (CID 122288549) is N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide.

What is the SMILES notation for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?

The canonical SMILES for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide is Cc1ccnc(Nc2ccc(NCCNC(=O)c3ccc([N+](=O)[O-])o3)nn2)c1.

What is the InChIKey of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?

The InChIKey is FFUZXQGZTCJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O4/c1-11-6-7-18-15(10-11)21-14-4-3-13(22-23-14)19-8-9-20-17(25)12-2-5-16(28-12)24(26)27/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,25)(H,18,21,23).

What are the key properties of N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide?

N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122288549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).