2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile

C22H21N3O — CID 133113211

IUPAC2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1
InChIInChI=1S/C22H21N3O/c1-15-6-7-19(13-23)22(24-15)25-11-10-20(21(26)14-25)18-9-8-16-4-2-3-5-17(16)12-18/h2-9,12,20-21,26H,10-11,14H2,1H3/t20-,21+/m1/s1
InChIKeyOGAGTOOHVUSSSP-RTWAWAEBSA-N
MW343.43 g/mol
LogP3.77
Rot. Bonds2

About 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 133113211) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID133113211
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1
InChIInChI=1S/C22H21N3O/c1-15-6-7-19(13-23)22(24-15)25-11-10-20(21(26)14-25)18-9-8-16-4-2-3-5-17(16)12-18/h2-9,12,20-21,26H,10-11,14H2,1H3/t20-,21+/m1/s1
InChIKeyOGAGTOOHVUSSSP-RTWAWAEBSA-N
XLogP3.77
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
2-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]pyridine-3-carboxamide
CID 50983878
6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 115871169
(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
(3S,4S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56720699
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
CID 50965295
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 133113211) is 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is OGAGTOOHVUSSSP-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-6-7-19(13-23)22(24-15)25-11-10-20(21(26)14-25)18-9-8-16-4-2-3-5-17(16)12-18/h2-9,12,20-21,26H,10-11,14H2,1H3/t20-,21+/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 133113211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).