2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride

C22H27ClN4O3 — CID 162307678

IUPAC2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCO2)nc1N
InChIInChI=1S/C22H26N4O3.ClH/c23-12-17-16(14-6-8-25-9-7-14)11-18(26-22(17)24)21-19(27)4-1-5-20(21)29-13-15-3-2-10-28-15;/h1,4-5,11,14-15,25,27H,2-3,6-10,13H2,(H2,24,26);1H
InChIKeyWPOKFDWGDZXAES-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.35
Rot. Bonds5

About 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride

2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride (PubChem CID 162307678) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
PubChem CID162307678
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCO2)nc1N
InChIInChI=1S/C22H26N4O3.ClH/c23-12-17-16(14-6-8-25-9-7-14)11-18(26-22(17)24)21-19(27)4-1-5-20(21)29-13-15-3-2-10-28-15;/h1,4-5,11,14-15,25,27H,2-3,6-10,13H2,(H2,24,26);1H
InChIKeyWPOKFDWGDZXAES-UHFFFAOYSA-N
XLogP3.35
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride 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

2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
2-amino-4-[2-(benzylamino)ethylamino]-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]pyridine-3-carbonitrile;hydrochloride
CID 159287388
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1H-1,8-naphthyridine-3-carbonitrile;hydrochloride
CID 162335678
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 56863982
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
CID 118036975

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride (CID 162307678) is 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCO2)nc1N.
What is the InChIKey of 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The InChIKey is WPOKFDWGDZXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.ClH/c23-12-17-16(14-6-8-25-9-7-14)11-18(26-22(17)24)21-19(27)4-1-5-20(21)29-13-15-3-2-10-28-15;/h1,4-5,11,14-15,25,27H,2-3,6-10,13H2,(H2,24,26);1H.
What are the key properties of 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 162307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).