4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile

C18H23N3 — CID 81060809

IUPAC4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC23CC4CC(CC(C4)C2)C3)c(C#N)c(C)n1
InChIInChI=1S/C18H23N3/c1-11-3-17(16(10-19)12(2)20-11)21-18-7-13-4-14(8-18)6-15(5-13)9-18/h3,13-15H,4-9H2,1-2H3,(H,20,21)
InChIKeyGEAAHGSHYZZMCU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.95
Rot. Bonds2

About 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile

4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060809) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060809
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC23CC4CC(CC(C4)C2)C3)c(C#N)c(C)n1
InChIInChI=1S/C18H23N3/c1-11-3-17(16(10-19)12(2)20-11)21-18-7-13-4-14(8-18)6-15(5-13)9-18/h3,13-15H,4-9H2,1-2H3,(H,20,21)
InChIKeyGEAAHGSHYZZMCU-UHFFFAOYSA-N
XLogP3.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-adamantylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375448
4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051408
2,6-dimethyl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbonitrile
CID 81060660
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
1-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 81049847
2,6-dimethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268896
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
CID 83015551
2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499
4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671

Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060809) is 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC23CC4CC(CC(C4)C2)C3)c(C#N)c(C)n1.
What is the InChIKey of 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GEAAHGSHYZZMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-11-3-17(16(10-19)12(2)20-11)21-18-7-13-4-14(8-18)6-15(5-13)9-18/h3,13-15H,4-9H2,1-2H3,(H,20,21).
What are the key properties of 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile?
4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).