[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine

C20H16N2O2S — CID 71159721

IUPAC[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine
SMILESNC(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c21-20(14-6-2-1-3-7-14)24-19-13-15(17-8-4-10-23-17)12-16(22-19)18-9-5-11-25-18/h1-13,20H,21H2
InChIKeyHUPRHSYDFAJMCP-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.11
Rot. Bonds5

About [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine

[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine (PubChem CID 71159721) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine.

Molecular Properties

Compound Name[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine
PubChem CID71159721
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine
SMILESNC(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c21-20(14-6-2-1-3-7-14)24-19-13-15(17-8-4-10-23-17)12-16(22-19)18-9-5-11-25-18/h1-13,20H,21H2
InChIKeyHUPRHSYDFAJMCP-UHFFFAOYSA-N
XLogP5.11
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 71157114
3-(furan-2-yl)-6-thiophen-2-ylpyridazine
CID 101136658
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
1-amino-4-(furan-2-yl)-6-thiophen-2-ylpyridin-2-one
CID 134121532
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
CID 71157126
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
CID 71157282
6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 14950530
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
2-(10-thiophen-2-ylanthracen-9-yl)furan
CID 163364351

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine?
The IUPAC name of [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine (CID 71159721) is [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine.
What is the SMILES notation for [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine?
The canonical SMILES for [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine is NC(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1.
What is the InChIKey of [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine?
The InChIKey is HUPRHSYDFAJMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c21-20(14-6-2-1-3-7-14)24-19-13-15(17-8-4-10-23-17)12-16(22-19)18-9-5-11-25-18/h1-13,20H,21H2.
What are the key properties of [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine?
[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine has a molecular weight of 348.43 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy-phenylmethanamine is sourced from PubChem (CID 71159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).