2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile

C19H20N2O2S — CID 110897936

IUPAC2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCC(O)COC2CCCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c20-11-14-8-9-21-19(10-14)24-13-16(22)12-23-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-10,16,18,22H,3,5,7,12-13H2
InChIKeyLWFOLTGKLAXXFX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile

2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile (PubChem CID 110897936) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile
PubChem CID110897936
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCC(O)COC2CCCc3ccccc32)c1
InChIInChI=1S/C19H20N2O2S/c20-11-14-8-9-21-19(10-14)24-13-16(22)12-23-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-10,16,18,22H,3,5,7,12-13H2
InChIKeyLWFOLTGKLAXXFX-UHFFFAOYSA-N
XLogP3.50
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,2,4-triazole-3-carbonitrile
CID 97243294
2-(2-hydroxy-3-propan-2-yloxypropyl)sulfanylpyridine-4-carbonitrile
CID 110897941
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
2-[3-[benzyl(methyl)amino]-2-hydroxypropyl]sulfanylpyridine-4-carbonitrile
CID 110923208
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
3-[ethyl-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]amino]propanenitrile
CID 111753763
3-[ethyl-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]amino]-2-methylpropanenitrile
CID 110913031
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
(2R)-1-[2-hydroxyethyl(propyl)amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124804735
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile (CID 110897936) is 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile is N#Cc1ccnc(SCC(O)COC2CCCc3ccccc32)c1.
What is the InChIKey of 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile?
The InChIKey is LWFOLTGKLAXXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c20-11-14-8-9-21-19(10-14)24-13-16(22)12-23-18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-10,16,18,22H,3,5,7,12-13H2.
What are the key properties of 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile?
2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile has a molecular weight of 340.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]sulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 110897936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).