(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

C23H23N3O2 — CID 135443467

IUPAC(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,24,27H,2,4-6,9-10H2/b26-21+
InChIKeyHZKVHNJIBUDOPD-YYADALCUSA-N
MW373.46 g/mol
LogP4.60
Rot. Bonds3

About (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135443467) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135443467
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,24,27H,2,4-6,9-10H2/b26-21+
InChIKeyHZKVHNJIBUDOPD-YYADALCUSA-N
XLogP4.60
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135443467) is (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is HZKVHNJIBUDOPD-YYADALCUSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,24,27H,2,4-6,9-10H2/b26-21+.
What are the key properties of (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 373.46 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135443467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).