2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride

C18H21ClN4O — CID 162321627

IUPAC2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCCC(N)C2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C18H20N4O.ClH/c19-10-15-14(11-4-3-5-12(20)8-11)9-16(22-18(15)21)13-6-1-2-7-17(13)23;/h1-2,6-7,9,11-12,23H,3-5,8,20H2,(H2,21,22);1H
InChIKeyVGNJLFVRMOYRKI-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.31
Rot. Bonds2

About 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride

2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 162321627) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
PubChem CID162321627
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(C2CCCC(N)C2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C18H20N4O.ClH/c19-10-15-14(11-4-3-5-12(20)8-11)9-16(22-18(15)21)13-6-1-2-7-17(13)23;/h1-2,6-7,9,11-12,23H,3-5,8,20H2,(H2,21,22);1H
InChIKeyVGNJLFVRMOYRKI-UHFFFAOYSA-N
XLogP3.31
TPSA108.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
2-amino-6-(2-hydroxyphenyl)-4-(1-propylpiperidin-3-yl)pyridine-3-carbonitrile;methane
CID 157316787
methyl 3-[2,3-diamino-6-(2-hydroxyphenyl)-4-pyridinyl]cyclohexane-1-carboxylate
CID 136603086
2-amino-6-(2-hydroxyphenyl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 136909232
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
tert-butyl 3-[2-amino-3-cyano-6-(2-phenylmethoxyphenyl)-4-pyridinyl]piperidine-1-carboxylate
CID 22258881
4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 153009999
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide
CID 135530508
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
4-(3-aminocyclohexyl)benzene-1,3-diol
CID 20824670

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride (CID 162321627) is 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1c(C2CCCC(N)C2)cc(-c2ccccc2O)nc1N.
What is the InChIKey of 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is VGNJLFVRMOYRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/c19-10-15-14(11-4-3-5-12(20)8-11)9-16(22-18(15)21)13-6-1-2-7-17(13)23;/h1-2,6-7,9,11-12,23H,3-5,8,20H2,(H2,21,22);1H.
What are the key properties of 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride?
2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 162321627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).