2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

C15H22N4 — CID 83017107

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NN2C(C)CCCC2C)n1
InChIInChI=1S/C15H22N4/c1-10-8-11(2)17-15(14(10)9-16)18-19-12(3)6-5-7-13(19)4/h8,12-13H,5-7H2,1-4H3,(H,17,18)
InChIKeyXTDYWPZQWBRBMM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.16
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile

2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 83017107) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID83017107
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NN2C(C)CCCC2C)n1
InChIInChI=1S/C15H22N4/c1-10-8-11(2)17-15(14(10)9-16)18-19-12(3)6-5-7-13(19)4/h8,12-13H,5-7H2,1-4H3,(H,17,18)
InChIKeyXTDYWPZQWBRBMM-UHFFFAOYSA-N
XLogP3.16
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile (CID 83017107) is 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NN2C(C)CCCC2C)n1.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XTDYWPZQWBRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-8-11(2)17-15(14(10)9-16)18-19-12(3)6-5-7-13(19)4/h8,12-13H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 83017107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).