N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide

C22H18N2O3 — CID 87867656

IUPACN-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide
SMILESO=C(NOCC1(c2ccccn2)CC1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C22H18N2O3/c25-21(24-26-14-22(11-12-22)19-10-3-4-13-23-19)16-7-5-9-18-20(16)15-6-1-2-8-17(15)27-18/h1-10,13H,11-12,14H2,(H,24,25)
InChIKeyKIGFTEUYPPQORH-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.37
Rot. Bonds5

About N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide

N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide (PubChem CID 87867656) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide
PubChem CID87867656
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide
SMILESO=C(NOCC1(c2ccccn2)CC1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C22H18N2O3/c25-21(24-26-14-22(11-12-22)19-10-3-4-13-23-19)16-7-5-9-18-20(16)15-6-1-2-8-17(15)27-18/h1-10,13H,11-12,14H2,(H,24,25)
InChIKeyKIGFTEUYPPQORH-UHFFFAOYSA-N
XLogP4.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide?
The IUPAC name of N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide (CID 87867656) is N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide.
What is the SMILES notation for N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide?
The canonical SMILES for N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide is O=C(NOCC1(c2ccccn2)CC1)c1cccc2oc3ccccc3c12.
What is the InChIKey of N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide?
The InChIKey is KIGFTEUYPPQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(24-26-14-22(11-12-22)19-10-3-4-13-23-19)16-7-5-9-18-20(16)15-6-1-2-8-17(15)27-18/h1-10,13H,11-12,14H2,(H,24,25).
What are the key properties of N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide?
N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-2-ylcyclopropyl)methoxy]dibenzofuran-1-carboxamide is sourced from PubChem (CID 87867656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).