4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine

C23H21N3O2 — CID 91403356

IUPAC4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine
SMILESO=NC1CCc2cc(-c3cc(C4=CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H21N3O2/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/h1,3,5,7-8,11-14,21,24H,2,4,6,9-10H2
InChIKeyZIOQDHBHVFROPN-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.14
Rot. Bonds4

About 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine

4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine (PubChem CID 91403356) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine
PubChem CID91403356
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine
SMILESO=NC1CCc2cc(-c3cc(C4=CCNCC4)oc3-c3ccncc3)ccc21
InChIInChI=1S/C23H21N3O2/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/h1,3,5,7-8,11-14,21,24H,2,4,6,9-10H2
InChIKeyZIOQDHBHVFROPN-UHFFFAOYSA-N
XLogP5.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine?
The IUPAC name of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine (CID 91403356) is 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine.
What is the SMILES notation for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine?
The canonical SMILES for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine is O=NC1CCc2cc(-c3cc(C4=CCNCC4)oc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine?
The InChIKey is ZIOQDHBHVFROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/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/h1,3,5,7-8,11-14,21,24H,2,4,6,9-10H2.
What are the key properties of 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine?
4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine has a molecular weight of 371.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)furan-2-yl]pyridine is sourced from PubChem (CID 91403356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).