cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

C22H28N4O — CID 95813574

IUPACcyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C22H28N4O/c27-22(17-7-2-1-3-8-17)26-14-6-9-18(16-26)20-12-11-19(15-24-20)25-21-10-4-5-13-23-21/h4-5,10-13,15,17-18H,1-3,6-9,14,16H2,(H,23,25)/t18-/m1/s1
InChIKeyGRXLAAWRGABYEV-GOSISDBHSA-N
MW364.49 g/mol
LogP4.51
Rot. Bonds4

About cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone

cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95813574) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95813574
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Namecyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1
InChIInChI=1S/C22H28N4O/c27-22(17-7-2-1-3-8-17)26-14-6-9-18(16-26)20-12-11-19(15-24-20)25-21-10-4-5-13-23-21/h4-5,10-13,15,17-18H,1-3,6-9,14,16H2,(H,23,25)/t18-/m1/s1
InChIKeyGRXLAAWRGABYEV-GOSISDBHSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813677
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 95817678
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
cyclohexyl-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53140033
pyridin-2-yl-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95813329
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone (CID 95813574) is cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1.
What is the InChIKey of cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is GRXLAAWRGABYEV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(17-7-2-1-3-8-17)26-14-6-9-18(16-26)20-12-11-19(15-24-20)25-21-10-4-5-13-23-21/h4-5,10-13,15,17-18H,1-3,6-9,14,16H2,(H,23,25)/t18-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone?
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95813574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).