2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine

C19H20N6O — CID 95822678

IUPAC2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
SMILESCc1ncccc1Oc1nccnc1[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H20N6O/c1-14-16(6-2-7-20-14)26-18-17(21-10-11-22-18)15-5-3-12-25(13-15)19-23-8-4-9-24-19/h2,4,6-11,15H,3,5,12-13H2,1H3/t15-/m0/s1
InChIKeySLCOARWGWJWMHC-HNNXBMFYSA-N
MW348.41 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine

2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine (PubChem CID 95822678) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
PubChem CID95822678
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
SMILESCc1ncccc1Oc1nccnc1[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C19H20N6O/c1-14-16(6-2-7-20-14)26-18-17(21-10-11-22-18)15-5-3-12-25(13-15)19-23-8-4-9-24-19/h2,4,6-11,15H,3,5,12-13H2,1H3/t15-/m0/s1
InChIKeySLCOARWGWJWMHC-HNNXBMFYSA-N
XLogP3.15
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methyl-3-pyridinyl)oxy]-3-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110256460
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 95843540
2-[(2-methyl-3-pyridinyl)oxy]-3-piperidin-4-ylpyrazine;dihydrochloride
CID 171688156
2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175657942
2-[3-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 110254065
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95843926
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
1-[(3R)-3-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821902
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine (CID 95822678) is 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine is Cc1ncccc1Oc1nccnc1[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
The InChIKey is SLCOARWGWJWMHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-16(6-2-7-20-14)26-18-17(21-10-11-22-18)15-5-3-12-25(13-15)19-23-8-4-9-24-19/h2,4,6-11,15H,3,5,12-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine?
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine has a molecular weight of 348.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95822678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).