[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

C20H18ClN5O2 — CID 134503380

IUPAC[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESO=C(c1ncccc1-c1ncccn1)N1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C20H18ClN5O2/c21-14-6-7-17(25-12-14)28-15-4-2-11-26(13-15)20(27)18-16(5-1-8-22-18)19-23-9-3-10-24-19/h1,3,5-10,12,15H,2,4,11,13H2
InChIKeyYSVOMOUTYJOSBV-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.27
Rot. Bonds4

About [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 134503380) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID134503380
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESO=C(c1ncccc1-c1ncccn1)N1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C20H18ClN5O2/c21-14-6-7-17(25-12-14)28-15-4-2-11-26(13-15)20(27)18-16(5-1-8-22-18)19-23-9-3-10-24-19/h1,3,5-10,12,15H,2,4,11,13H2
InChIKeyYSVOMOUTYJOSBV-UHFFFAOYSA-N
XLogP3.27
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Related Compounds

[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503138
[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 134503118
(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 134503210
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134503259
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
[3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 128572366
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 134503380) is [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is O=C(c1ncccc1-c1ncccn1)N1CCCC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is YSVOMOUTYJOSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-14-6-7-17(25-12-14)28-15-4-2-11-26(13-15)20(27)18-16(5-1-8-22-18)19-23-9-3-10-24-19/h1,3,5-10,12,15H,2,4,11,13H2.
What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 395.85 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 134503380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).