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

C29H27N3O3 — CID 135542999

IUPAC(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(-c4ccc(OC5CCNCC5)cc4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C29H27N3O3/c33-32-27-8-4-21-17-22(3-7-25(21)27)26-18-28(35-29(26)20-9-13-30-14-10-20)19-1-5-23(6-2-19)34-24-11-15-31-16-12-24/h1-3,5-7,9-10,13-14,17-18,24,31,33H,4,8,11-12,15-16H2/b32-27+
InChIKeyJVKPSEIKOLNLQA-QVAGMWBUSA-N
MW465.55 g/mol
LogP5.93
Rot. Bonds5

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

(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135542999) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135542999
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(-c4ccc(OC5CCNCC5)cc4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C29H27N3O3/c33-32-27-8-4-21-17-22(3-7-25(21)27)26-18-28(35-29(26)20-9-13-30-14-10-20)19-1-5-23(6-2-19)34-24-11-15-31-16-12-24/h1-3,5-7,9-10,13-14,17-18,24,31,33H,4,8,11-12,15-16H2/b32-27+
InChIKeyJVKPSEIKOLNLQA-QVAGMWBUSA-N
XLogP5.93
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135542999) is (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(-c3cc(-c4ccc(OC5CCNCC5)cc4)oc3-c3ccncc3)ccc21.
What is the InChIKey of (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is JVKPSEIKOLNLQA-QVAGMWBUSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-32-27-8-4-21-17-22(3-7-25(21)27)26-18-28(35-29(26)20-9-13-30-14-10-20)19-1-5-23(6-2-19)34-24-11-15-31-16-12-24/h1-3,5-7,9-10,13-14,17-18,24,31,33H,4,8,11-12,15-16H2/b32-27+.
What are the key properties of (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 465.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[5-(4-piperidin-4-yloxyphenyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135542999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).