2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine

C21H23N5O — CID 95843459

IUPAC2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
SMILESCc1ncccc1Oc1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C21H23N5O/c1-16-19(8-4-10-22-16)27-21-20(24-11-12-25-21)17-6-5-13-26(14-17)15-18-7-2-3-9-23-18/h2-4,7-12,17H,5-6,13-15H2,1H3/t17-/m1/s1
InChIKeyIWDWVZJJHIPULB-QGZVFWFLSA-N
MW361.45 g/mol
LogP3.75
Rot. Bonds5

About 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine

2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine (PubChem CID 95843459) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
PubChem CID95843459
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
SMILESCc1ncccc1Oc1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C21H23N5O/c1-16-19(8-4-10-22-16)27-21-20(24-11-12-25-21)17-6-5-13-26(14-17)15-18-7-2-3-9-23-18/h2-4,7-12,17H,5-6,13-15H2,1H3/t17-/m1/s1
InChIKeyIWDWVZJJHIPULB-QGZVFWFLSA-N
XLogP3.75
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methyl-3-pyridinyl)oxy]-3-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110256460
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95822678
1-[3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256201
4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
CID 95822106
3-methyl-1-[(3S)-3-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 95843540
2-(2-ethylimidazol-1-yl)-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 110250066
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
CID 110256586
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
2-[(2-methyl-3-pyridinyl)oxy]-3-piperidin-4-ylpyrazine;dihydrochloride
CID 171688156
5-methylsulfonyl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]thiadiazole
CID 110237132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine (CID 95843459) is 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine is Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
The InChIKey is IWDWVZJJHIPULB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-19(8-4-10-22-16)27-21-20(24-11-12-25-21)17-6-5-13-26(14-17)15-18-7-2-3-9-23-18/h2-4,7-12,17H,5-6,13-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine?
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine has a molecular weight of 361.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 95843459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).