2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride

C17H20ClN3 — CID 17384327

IUPAC2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-5-7-12(8-6-11)13-9-15(17(2,3)4)20-16(19)14(13)10-18;/h5-9H,1-4H3,(H2,19,20);1H
InChIKeyFILBKLKDOITPSW-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.23
Rot. Bonds1

About 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride

2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 17384327) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride
PubChem CID17384327
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride
SMILESCc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-5-7-12(8-6-11)13-9-15(17(2,3)4)20-16(19)14(13)10-18;/h5-9H,1-4H3,(H2,19,20);1H
InChIKeyFILBKLKDOITPSW-UHFFFAOYSA-N
XLogP4.23
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-6-tert-butyl-4-[2-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
CID 56876842
2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 679608
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride (CID 17384327) is 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride is Cc1ccc(-c2cc(C(C)(C)C)nc(N)c2C#N)cc1.Cl.
What is the InChIKey of 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is FILBKLKDOITPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-11-5-7-12(8-6-11)13-9-15(17(2,3)4)20-16(19)14(13)10-18;/h5-9H,1-4H3,(H2,19,20);1H.
What are the key properties of 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride?
2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-(4-methylphenyl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 17384327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).