N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

C22H22N6O4 — CID 118476510

About N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide

N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 118476510) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
• PubChem CID: 118476510
• Molecular Formula: C22H22N6O4
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.17
• IUPAC Name: N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
• SMILES: C=C/C=C(\C)n1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(N)c3)cn2)c2n1CCOC2
• InChI: InChI=1S/C22H22N6O4/c1-3-4-14(2)28-22(30)20(17-13-31-10-9-27(17)28)21(29)26-19-6-5-16(12-25-19)32-15-7-8-24-18(23)11-15/h3-8,11-12H,1,9-10,13H2,2H3,(H2,23,24)(H,25,26,29)/b14-4+
• InChIKey: JQGOOIKJHGASIL-LNKIKWGQSA-N
• XLogP: 2.64
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?

The IUPAC name of N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 118476510) is N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide.

What is the SMILES notation for N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?

The canonical SMILES for N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is C=C/C=C(\C)n1c(=O)c(C(=O)Nc2ccc(Oc3ccnc(N)c3)cn2)c2n1CCOC2.

What is the InChIKey of N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?

The InChIKey is JQGOOIKJHGASIL-LNKIKWGQSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-3-4-14(2)28-22(30)20(17-13-31-10-9-27(17)28)21(29)26-19-6-5-16(12-25-19)32-15-7-8-24-18(23)11-15/h3-8,11-12H,1,9-10,13H2,2H3,(H2,23,24)(H,25,26,29)/b14-4+.

What are the key properties of N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide?

N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-[(2E)-penta-2,4-dien-2-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 118476510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).