cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C21H26N4O2 — CID 110266021

IUPACcyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCCC1)N1CCOC(c2cccc(Nc3cccnc3)n2)C1
InChIInChI=1S/C21H26N4O2/c26-21(16-6-2-1-3-7-16)25-12-13-27-19(15-25)18-9-4-10-20(24-18)23-17-8-5-11-22-14-17/h4-5,8-11,14,16,19H,1-3,6-7,12-13,15H2,(H,23,24)
InChIKeyMCMMTXYZSLZUJV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.70
Rot. Bonds4

About cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 110266021) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID110266021
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Namecyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESO=C(C1CCCCC1)N1CCOC(c2cccc(Nc3cccnc3)n2)C1
InChIInChI=1S/C21H26N4O2/c26-21(16-6-2-1-3-7-16)25-12-13-27-19(15-25)18-9-4-10-20(24-18)23-17-8-5-11-22-14-17/h4-5,8-11,14,16,19H,1-3,6-7,12-13,15H2,(H,23,24)
InChIKeyMCMMTXYZSLZUJV-UHFFFAOYSA-N
XLogP3.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155985226
4-[6-[4-(cyclopentanecarbonyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 155983921
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
cyclohexyl-[(3R)-3-[5-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813574
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
cyclopentyl-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124961928
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 110266021) is cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is O=C(C1CCCCC1)N1CCOC(c2cccc(Nc3cccnc3)n2)C1.
What is the InChIKey of cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is MCMMTXYZSLZUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(16-6-2-1-3-7-16)25-12-13-27-19(15-25)18-9-4-10-20(24-18)23-17-8-5-11-22-14-17/h4-5,8-11,14,16,19H,1-3,6-7,12-13,15H2,(H,23,24).
What are the key properties of cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[6-(pyridin-3-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 110266021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).