3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C21H17N3O3 — CID 67337226

IUPAC3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccc(C=C3CCCN=C3c3cccnc3)o2)c1
InChIInChI=1S/C21H17N3O3/c25-24(26)18-7-1-4-15(12-18)20-9-8-19(27-20)13-16-5-3-11-23-21(16)17-6-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyFRUZWHRLRSBCEE-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.92
Rot. Bonds4

About 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 67337226) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID67337226
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESO=[N+]([O-])c1cccc(-c2ccc(C=C3CCCN=C3c3cccnc3)o2)c1
InChIInChI=1S/C21H17N3O3/c25-24(26)18-7-1-4-15(12-18)20-9-8-19(27-20)13-16-5-3-11-23-21(16)17-6-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2
InChIKeyFRUZWHRLRSBCEE-UHFFFAOYSA-N
XLogP4.92
TPSA81.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Benzofuranyl)pyridine
CID 65590
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 6866455
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
Coumarin, 6-nitro-3-(2-pyridyl)-
CID 18824
4-(2-Furoyl)-3-HO-5-(3-nitro-PH)-1-(3-pyridinyl-ME)-1,5-dihydro-2H-pyrrol-2-one
CID 2910507
3-nitro-N-[4-(3-pyridinyloxy)phenyl]benzamide
CID 804425
4-[2-(4-Fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-furan-3-yl]-pyridine
CID 44399311
3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
CID 46837513
4-(1-Benzofuran-2-yl)-1-[(2-nitrophenyl)methyl]pyridin-1-ium bromide
CID 118730707
4-(1-Benzofuran-2-yl)-1-[(4-nitrophenyl)methyl]pyridin-1-ium bromide
CID 118730815
5-(3-nitrophenyl)-N-(3-pyridinylmethyl)-2-furamide
CID 2222377
2-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 68444685

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 67337226) is 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is O=[N+]([O-])c1cccc(-c2ccc(C=C3CCCN=C3c3cccnc3)o2)c1.
What is the InChIKey of 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is FRUZWHRLRSBCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-24(26)18-7-1-4-15(12-18)20-9-8-19(27-20)13-16-5-3-11-23-21(16)17-6-2-10-22-14-17/h1-2,4,6-10,12-14H,3,5,11H2.
What are the key properties of 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 359.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 67337226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).