4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

C22H24N6 — CID 72846547

IUPAC4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccccn3)CC2)n1
InChIInChI=1S/C22H24N6/c1-16-13-17(2)26-22(20(16)14-23)27-10-6-18(7-11-27)21-25-9-12-28(21)15-19-5-3-4-8-24-19/h3-5,8-9,12-13,18H,6-7,10-11,15H2,1-2H3
InChIKeyCDVKPXXSKGZAEK-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.59
Rot. Bonds4

About 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72846547) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID72846547
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccccn3)CC2)n1
InChIInChI=1S/C22H24N6/c1-16-13-17(2)26-22(20(16)14-23)27-10-6-18(7-11-27)21-25-9-12-28(21)15-19-5-3-4-8-24-19/h3-5,8-9,12-13,18H,6-7,10-11,15H2,1-2H3
InChIKeyCDVKPXXSKGZAEK-UHFFFAOYSA-N
XLogP3.59
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 72846547) is 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccccn3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is CDVKPXXSKGZAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-16-13-17(2)26-22(20(16)14-23)27-10-6-18(7-11-27)21-25-9-12-28(21)15-19-5-3-4-8-24-19/h3-5,8-9,12-13,18H,6-7,10-11,15H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 372.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72846547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).