4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile

C26H22N2O4 — CID 10646090

IUPAC4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cncc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-13-18-9-21-12-23(1-2-24(21)25(11-18)20-3-6-31-17-20)32-16-19-10-22(15-28-14-19)26(29)4-7-30-8-5-26/h1-3,6,9-12,14-15,17,29H,4-5,7-8,16H2
InChIKeySPTDUYMUHLKWKH-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.94
Rot. Bonds5

About 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile

4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile (PubChem CID 10646090) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
PubChem CID10646090
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3cncc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-13-18-9-21-12-23(1-2-24(21)25(11-18)20-3-6-31-17-20)32-16-19-10-22(15-28-14-19)26(29)4-7-30-8-5-26/h1-3,6,9-12,14-15,17,29H,4-5,7-8,16H2
InChIKeySPTDUYMUHLKWKH-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-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile (CID 10646090) is 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(OCc3cncc(C4(O)CCOCC4)c3)cc2c1.
What is the InChIKey of 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The InChIKey is SPTDUYMUHLKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c27-13-18-9-21-12-23(1-2-24(21)25(11-18)20-3-6-31-17-20)32-16-19-10-22(15-28-14-19)26(29)4-7-30-8-5-26/h1-3,6,9-12,14-15,17,29H,4-5,7-8,16H2.
What are the key properties of 4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile?
4-(furan-3-yl)-7-[[5-(4-hydroxyoxan-4-yl)-3-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-[[5-(4-hydroxyoxan-4-yl)-3-pyridinyl]methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 10646090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).