6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide

C22H28N6O2 — CID 57265829

About 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide

6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide (PubChem CID 57265829) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide
• PubChem CID: 57265829
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide
• SMILES: C=CCc1c(OCCCNC(=O)c2ccc(NN)nc2)ccc2c1CCCC2=NN
• InChI: InChI=1S/C22H28N6O2/c1-2-5-18-16-6-3-7-19(27-23)17(16)9-10-20(18)30-13-4-12-25-22(29)15-8-11-21(28-24)26-14-15/h2,8-11,14H,1,3-7,12-13,23-24H2,(H,25,29)(H,26,28)
• InChIKey: BBDSFCYMGJIRIS-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 127.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide?

The IUPAC name of 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide (CID 57265829) is 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide?

The canonical SMILES for 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide is C=CCc1c(OCCCNC(=O)c2ccc(NN)nc2)ccc2c1CCCC2=NN.

What is the InChIKey of 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide?

The InChIKey is BBDSFCYMGJIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-2-5-18-16-6-3-7-19(27-23)17(16)9-10-20(18)30-13-4-12-25-22(29)15-8-11-21(28-24)26-14-15/h2,8-11,14H,1,3-7,12-13,23-24H2,(H,25,29)(H,26,28).

What are the key properties of 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide?

6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.29, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydrazinyl-N-[3-[(5-hydrazinylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 57265829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).