2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile

C14H17N5 — CID 81061250

IUPAC2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2nccn2C)c(C#N)c(C)n1
InChIInChI=1S/C14H17N5/c1-10-7-13(12(8-15)11(2)17-10)19(4)9-14-16-5-6-18(14)3/h5-7H,9H2,1-4H3
InChIKeyWYFCZFKLGMCKTA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.94
Rot. Bonds3

About 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile (PubChem CID 81061250) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
PubChem CID81061250
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(N(C)Cc2nccn2C)c(C#N)c(C)n1
InChIInChI=1S/C14H17N5/c1-10-7-13(12(8-15)11(2)17-10)19(4)9-14-16-5-6-18(14)3/h5-7H,9H2,1-4H3
InChIKeyWYFCZFKLGMCKTA-UHFFFAOYSA-N
XLogP1.94
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
CID 133432083
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 55151643
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
CID 114219897
N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile (CID 81061250) is 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile is Cc1cc(N(C)Cc2nccn2C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The InChIKey is WYFCZFKLGMCKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-7-13(12(8-15)11(2)17-10)19(4)9-14-16-5-6-18(14)3/h5-7H,9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 81061250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).