4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C12H17N3O — CID 81042969

IUPAC4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(C)(C)O)c(C#N)c(C)n1
InChIInChI=1S/C12H17N3O/c1-8-5-11(14-7-12(3,4)16)10(6-13)9(2)15-8/h5,16H,7H2,1-4H3,(H,14,15)
InChIKeyXRKZSVZGTLPBJR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.75
Rot. Bonds3

About 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81042969) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81042969
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC(C)(C)O)c(C#N)c(C)n1
InChIInChI=1S/C12H17N3O/c1-8-5-11(14-7-12(3,4)16)10(6-13)9(2)15-8/h5,16H,7H2,1-4H3,(H,14,15)
InChIKeyXRKZSVZGTLPBJR-UHFFFAOYSA-N
XLogP1.75
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-piperidin-1-ylpyridine-3-carbonitrile
CID 81041853
2,6-Dimethyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 84587688
4-Amino-2,6-dimethylpyridine-3-carbonitrile
CID 4582971
2-(2-Aminoethyl)-6-fluoroisonicotinonitrile
CID 72216857
4-[(2-Fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81041312
4-[2-(3-Fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81041452
4-[2-(4-Fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042482
4-[(4-Fluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042801
4-[2-(2-Fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042966
2,6-Dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carbonitrile
CID 81059816
4-[(2,4-Difluorophenyl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060281
4-[2-(3,5-Difluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060343

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81042969) is 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCC(C)(C)O)c(C#N)c(C)n1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XRKZSVZGTLPBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-5-11(14-7-12(3,4)16)10(6-13)9(2)15-8/h5,16H,7H2,1-4H3,(H,14,15).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81042969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).