N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide

C21H18N2O4 — CID 86620987

IUPACN-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide
SMILESCC(C)Oc1ccc(C(=O)[NH+]([O-])c2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C21H18N2O4/c1-13(2)26-18-8-7-16(21(24)23(25)14-9-11-22-12-10-14)19-15-5-3-4-6-17(15)27-20(18)19/h3-13,23H,1-2H3
InChIKeyCNOAVQYURDXKDR-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.62
Rot. Bonds4

About N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide

N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide (PubChem CID 86620987) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide.

Molecular Properties

Compound NameN-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide
PubChem CID86620987
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide
SMILESCC(C)Oc1ccc(C(=O)[NH+]([O-])c2ccncc2)c2c1oc1ccccc12
InChIInChI=1S/C21H18N2O4/c1-13(2)26-18-8-7-16(21(24)23(25)14-9-11-22-12-10-14)19-15-5-3-4-6-17(15)27-20(18)19/h3-13,23H,1-2H3
InChIKeyCNOAVQYURDXKDR-UHFFFAOYSA-N
XLogP3.62
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide?
The IUPAC name of N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide (CID 86620987) is N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide.
What is the SMILES notation for N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide?
The canonical SMILES for N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide is CC(C)Oc1ccc(C(=O)[NH+]([O-])c2ccncc2)c2c1oc1ccccc12.
What is the InChIKey of N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide?
The InChIKey is CNOAVQYURDXKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13(2)26-18-8-7-16(21(24)23(25)14-9-11-22-12-10-14)19-15-5-3-4-6-17(15)27-20(18)19/h3-13,23H,1-2H3.
What are the key properties of N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide?
N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide has a molecular weight of 362.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxydibenzofuran-1-carbonyl)pyridin-4-amine oxide is sourced from PubChem (CID 86620987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).