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

C26H22N2O4 — CID 10574430

IUPAC4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3ccnc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-15-19-11-21-14-22(1-2-23(21)24(12-19)20-4-8-31-17-20)32-16-18-3-7-28-25(13-18)26(29)5-9-30-10-6-26/h1-4,7-8,11-14,17,29H,5-6,9-10,16H2
InChIKeyTZFLBFLRYWTQON-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.94
Rot. Bonds5

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

4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile (PubChem CID 10574430) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile
PubChem CID10574430
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile
SMILESN#Cc1cc(-c2ccoc2)c2ccc(OCc3ccnc(C4(O)CCOCC4)c3)cc2c1
InChIInChI=1S/C26H22N2O4/c27-15-19-11-21-14-22(1-2-23(21)24(12-19)20-4-8-31-17-20)32-16-18-3-7-28-25(13-18)26(29)5-9-30-10-6-26/h1-4,7-8,11-14,17,29H,5-6,9-10,16H2
InChIKeyTZFLBFLRYWTQON-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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Related Compounds

4-Furan-3-yl-7-[6-(4-hydroxy-tetrahydro-pyran-4-yl)-pyridin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 11796680
4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-pyridin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 9803993
Uccf-339
CID 71376521
4-Furan-3-yl-7-[4-(4-hydroxy-tetrahydro-pyran-4-yl)-pyridin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 10502533
4-Furan-3-yl-7-[7-(4-hydroxy-tetrahydro-pyran-4-yl)-quinolin-2-ylmethoxy]-naphthalene-2-carbonitrile
CID 10576564
4-Furan-3-yl-7-[5-(4-hydroxy-tetrahydro-pyran-4-yl)-pyridin-3-ylmethoxy]-naphthalene-2-carbonitrile
CID 10646090
7-[3-(4-Hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-4-pyridin-3-yl-3H-naphtho[2,3-c]furan-1-one
CID 15283094
4-Furan-3-yl-7-[6-(3-hydroxy-6,8-dioxa-bicyclo[3.2.1]oct-3-yl)-pyridin-2-yloxymethyl]-naphthalene-2-carbonitrile
CID 44329616
{4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-naphthalen-2-yl}-pyridin-3-yl-methanone
CID 44351693
4-Phenyl-7-(5-phenyl-pyridin-2-ylmethoxy)-3H-naphtho[2,3-c]furan-1-one
CID 44305258
7-[(1S,2S)-2-(1-benzofuran-7-yl)-1-(2,3-dimethoxy-4-pyridinyl)-4-(dimethylamino)-2-hydroxybutyl]-6-methoxynaphthalene-2-carbonitrile
CID 145969542
7-[(1S,2S)-2-(1-benzofuran-7-yl)-4-(dimethylamino)-2-hydroxy-1-(2-methoxy-3-pyridinyl)butyl]-6-methoxynaphthalene-2-carbonitrile
CID 145969772

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The IUPAC name of 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile (CID 10574430) is 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The canonical SMILES for 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile is N#Cc1cc(-c2ccoc2)c2ccc(OCc3ccnc(C4(O)CCOCC4)c3)cc2c1.
What is the InChIKey of 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile?
The InChIKey is TZFLBFLRYWTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c27-15-19-11-21-14-22(1-2-23(21)24(12-19)20-4-8-31-17-20)32-16-18-3-7-28-25(13-18)26(29)5-9-30-10-6-26/h1-4,7-8,11-14,17,29H,5-6,9-10,16H2.
What are the key properties of 4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile?
4-(furan-3-yl)-7-[[2-(4-hydroxyoxan-4-yl)-4-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-[[2-(4-hydroxyoxan-4-yl)-4-pyridinyl]methoxy]naphthalene-2-carbonitrile is sourced from PubChem (CID 10574430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).