2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride

C17H19ClN4O — CID 135550626

IUPAC2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCCNC2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C17H18N4O.ClH/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22;/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21);1H
InChIKeyNGPARIDDOBKDDO-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride

2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride (PubChem CID 135550626) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
PubChem CID135550626
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCCNC2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C17H18N4O.ClH/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22;/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21);1H
InChIKeyNGPARIDDOBKDDO-UHFFFAOYSA-N
XLogP2.80
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride (CID 135550626) is 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1c(C2CCCNC2)cc(-c2ccccc2O)nc1N.
What is the InChIKey of 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
The InChIKey is NGPARIDDOBKDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.ClH/c18-9-14-13(11-4-3-7-20-10-11)8-15(21-17(14)19)12-5-1-2-6-16(12)22;/h1-2,5-6,8,11,20,22H,3-4,7,10H2,(H2,19,21);1H.
What are the key properties of 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride?
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 135550626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).