[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

C17H20N4O — CID 124970955

IUPAC[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cncc(C2CCN(C(=O)c3ncccc3C)CC2)n1
InChIInChI=1S/C17H20N4O/c1-12-4-3-7-19-16(12)17(22)21-8-5-14(6-9-21)15-11-18-10-13(2)20-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyJTQOSSHSJFHGMA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds2

About [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 124970955) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID124970955
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cncc(C2CCN(C(=O)c3ncccc3C)CC2)n1
InChIInChI=1S/C17H20N4O/c1-12-4-3-7-19-16(12)17(22)21-8-5-14(6-9-21)15-11-18-10-13(2)20-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3
InChIKeyJTQOSSHSJFHGMA-UHFFFAOYSA-N
XLogP2.51
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95845680
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846134
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
[4-[6-(2-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819757
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123
(3-methyl-2-pyridinyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 125022820

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 124970955) is [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cncc(C2CCN(C(=O)c3ncccc3C)CC2)n1.
What is the InChIKey of [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is JTQOSSHSJFHGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-4-3-7-19-16(12)17(22)21-8-5-14(6-9-21)15-11-18-10-13(2)20-15/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3.
What are the key properties of [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124970955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).