4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile

C26H22N2O4 — CID 11796680

IUPAC4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)n3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-15-18-12-20-14-22(4-5-23(20)24(13-18)19-6-9-31-16-19)32-17-21-2-1-3-25(28-21)26(29)7-10-30-11-8-26/h1-6,9,12-14,16,29H,7-8,10-11,17H2
InChIKeyNXWSHKALJVLTCA-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.94
Rot. Bonds5

About 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile

4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile (PubChem CID 11796680) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile
PubChem CID11796680
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)n3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-15-18-12-20-14-22(4-5-23(20)24(13-18)19-6-9-31-16-19)32-17-21-2-1-3-25(28-21)26(29)7-10-30-11-8-26/h1-6,9,12-14,16,29H,7-8,10-11,17H2
InChIKeyNXWSHKALJVLTCA-UHFFFAOYSA-N
XLogP4.94
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile (CID 11796680) is 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)n3)cc2c1.
What is the InChIKey of 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The InChIKey is NXWSHKALJVLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c27-15-18-12-20-14-22(4-5-23(20)24(13-18)19-6-9-31-16-19)32-17-21-2-1-3-25(28-21)26(29)7-10-30-11-8-26/h1-6,9,12-14,16,29H,7-8,10-11,17H2.
What are the key properties of 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile?
4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile has a molecular weight of 426.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-7-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 11796680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).