6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide

C26H20N4O6 — CID 173129786

About 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide

6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 173129786) has the molecular formula C26H20N4O6 and a molecular weight of 484.47 g/mol. Its IUPAC name is 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide
• PubChem CID: 173129786
• Molecular Formula: C26H20N4O6
• Molecular Weight: 484.47 g/mol
• Exact Mass: 484.14
• IUPAC Name: 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide
• SMILES: NC(=O)c1cccc(Oc2ccc3c(c2)CCC(c2cccc(Oc4ccc([N+](=O)[O-])cn4)c2)O3)n1
• InChI: InChI=1S/C26H20N4O6/c27-26(31)21-5-2-6-25(29-21)35-20-9-11-23-17(14-20)7-10-22(36-23)16-3-1-4-19(13-16)34-24-12-8-18(15-28-24)30(32)33/h1-6,8-9,11-15,22H,7,10H2,(H2,27,31)
• InChIKey: LTMWWAOWQSVNDP-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 139.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.47
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide?

The IUPAC name of 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide (CID 173129786) is 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide?

The canonical SMILES for 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide is NC(=O)c1cccc(Oc2ccc3c(c2)CCC(c2cccc(Oc4ccc([N+](=O)[O-])cn4)c2)O3)n1.

What is the InChIKey of 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide?

The InChIKey is LTMWWAOWQSVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O6/c27-26(31)21-5-2-6-25(29-21)35-20-9-11-23-17(14-20)7-10-22(36-23)16-3-1-4-19(13-16)34-24-12-8-18(15-28-24)30(32)33/h1-6,8-9,11-15,22H,7,10H2,(H2,27,31).

What are the key properties of 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide?

6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 484.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 173129786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).