3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C17H23N5O3 — CID 129343751

IUPAC3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCc1ccc(O)c(CN2CCO[C@H](CNc3nccn(C)c3=O)C2)n1
InChIInChI=1S/C17H23N5O3/c1-12-3-4-15(23)14(20-12)11-22-7-8-25-13(10-22)9-19-16-17(24)21(2)6-5-18-16/h3-6,13,23H,7-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyXJTWJRNGWHCHSF-CYBMUJFWSA-N
MW345.40 g/mol
LogP0.50
Rot. Bonds5

About 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129343751) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129343751
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCc1ccc(O)c(CN2CCO[C@H](CNc3nccn(C)c3=O)C2)n1
InChIInChI=1S/C17H23N5O3/c1-12-3-4-15(23)14(20-12)11-22-7-8-25-13(10-22)9-19-16-17(24)21(2)6-5-18-16/h3-6,13,23H,7-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyXJTWJRNGWHCHSF-CYBMUJFWSA-N
XLogP0.50
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129343751) is 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cc1ccc(O)c(CN2CCO[C@H](CNc3nccn(C)c3=O)C2)n1.
What is the InChIKey of 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is XJTWJRNGWHCHSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-3-4-15(23)14(20-12)11-22-7-8-25-13(10-22)9-19-16-17(24)21(2)6-5-18-16/h3-6,13,23H,7-11H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 345.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129343751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).