N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

C21H25N3O4 — CID 73134687

About N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide

N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (PubChem CID 73134687) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
• PubChem CID: 73134687
• Molecular Formula: C21H25N3O4
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.18
• IUPAC Name: N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide
• SMILES: O=C(Nc1ccc2n(c1=O)CC1CC2CN(C2CCOCC2)C1)c1ccco1
• InChI: InChI=1S/C21H25N3O4/c25-20(19-2-1-7-28-19)22-17-3-4-18-15-10-14(12-24(18)21(17)26)11-23(13-15)16-5-8-27-9-6-16/h1-4,7,14-16H,5-6,8-13H2,(H,22,25)
• InChIKey: KVLRFRFOEKWBND-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The IUPAC name of N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide (CID 73134687) is N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide.

What is the SMILES notation for N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The canonical SMILES for N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is O=C(Nc1ccc2n(c1=O)CC1CC2CN(C2CCOCC2)C1)c1ccco1.

What is the InChIKey of N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

The InChIKey is KVLRFRFOEKWBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-20(19-2-1-7-28-19)22-17-3-4-18-15-10-14(12-24(18)21(17)26)11-23(13-15)16-5-8-27-9-6-16/h1-4,7,14-16H,5-6,8-13H2,(H,22,25).

What are the key properties of N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide?

N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]furan-2-carboxamide is sourced from PubChem (CID 73134687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).