1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C24H33N5O — CID 124966125

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H33N5O/c1-18-7-5-8-19(2)29(18)24(30)17-28-15-12-20(13-16-28)21-9-6-11-23(26-21)27-22-10-3-4-14-25-22/h3-4,6,9-11,14,18-20H,5,7-8,12-13,15-17H2,1-2H3,(H,25,26,27)/t18-,19+
InChIKeyIJQMPHBTJHIZGJ-KDURUIRLSA-N
MW407.56 g/mol
LogP4.19
Rot. Bonds5

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 124966125) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID124966125
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C24H33N5O/c1-18-7-5-8-19(2)29(18)24(30)17-28-15-12-20(13-16-28)21-9-6-11-23(26-21)27-22-10-3-4-14-25-22/h3-4,6,9-11,14,18-20H,5,7-8,12-13,15-17H2,1-2H3,(H,25,26,27)/t18-,19+
InChIKeyIJQMPHBTJHIZGJ-KDURUIRLSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 124966125) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is IJQMPHBTJHIZGJ-KDURUIRLSA-N. The full InChI is InChI=1S/C24H33N5O/c1-18-7-5-8-19(2)29(18)24(30)17-28-15-12-20(13-16-28)21-9-6-11-23(26-21)27-22-10-3-4-14-25-22/h3-4,6,9-11,14,18-20H,5,7-8,12-13,15-17H2,1-2H3,(H,25,26,27)/t18-,19+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 407.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124966125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).