2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile

C14H17N5 — CID 81060304

IUPAC2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCc2cnn(C)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H17N5/c1-10-6-14(13(7-15)11(2)18-10)16-5-4-12-8-17-19(3)9-12/h6,8-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyZUOYUJVAKJEGBM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.96
Rot. Bonds4

About 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 81060304) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID81060304
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCc2cnn(C)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H17N5/c1-10-6-14(13(7-15)11(2)18-10)16-5-4-12-8-17-19(3)9-12/h6,8-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyZUOYUJVAKJEGBM-UHFFFAOYSA-N
XLogP1.96
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133411675
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
2,6-dimethyl-4-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133396657
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile (CID 81060304) is 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(NCCc2cnn(C)c2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is ZUOYUJVAKJEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-6-14(13(7-15)11(2)18-10)16-5-4-12-8-17-19(3)9-12/h6,8-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81060304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).