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

C23H23N3O3 — CID 135469450

IUPAC(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,27H,2,4,9-12,15H2/b25-22+
InChIKeyYXUHCEFKIVTBRQ-YYDJUVGSSA-N
MW389.46 g/mol
LogP3.97
Rot. Bonds4

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

(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135469450) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135469450
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1\CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,27H,2,4,9-12,15H2/b25-22+
InChIKeyYXUHCEFKIVTBRQ-YYDJUVGSSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
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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Related Compounds

[2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-yl}phenoxy)ethyl]dimethylamine
CID 90803372
[2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-4-(pyridin-4-yl)furan-2-yl}phenoxy)ethyl]dimethylamine
CID 90842208
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-5-(pyridin-4-yl)furan-2-carboxamide
CID 91391208
(NE)-N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridin-4-ylfuran-2-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135452829
N-[5-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;hydrochloride
CID 136207967
(1E)-5-[5-(piperidin-4-yl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91126317
(1E)-5-{5-[1-(2-methoxyethyl)piperidin-4-yl]-2-(pyridin-4-yl)furan-3-yl}-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91427294
(1E)-5-[5-(morpholin-4-ylmethyl)-2-(pyridin-4-yl)furan-3-yl]-2,3-dihydro-1H-indene-1-hydroxylamine
CID 91593400
N-[2-(dimethylamino)ethyl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 135581547
(NE)-N-[5-(5-piperidin-4-yl-2-pyridin-4-ylfuran-3-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135443467
(NE)-N-[5-[5-[1-(2-methoxyethyl)piperidin-4-yl]-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135453444
4-[2-(4-Fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-furan-3-yl]-pyridine
CID 44399311

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135469450) is (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1\CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is YXUHCEFKIVTBRQ-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,27H,2,4,9-12,15H2/b25-22+.
What are the key properties of (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 389.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).