6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

C17H23N5O2 — CID 126888135

IUPAC6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCOc1cc(NC2CCN(Cc3cccc(=O)n3C)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-21-14(4-3-5-17(21)23)11-22-8-6-13(7-9-22)20-15-10-16(24-2)19-12-18-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeyMBWLEMDURQSPJR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.26
Rot. Bonds5

About 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 126888135) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID126888135
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCOc1cc(NC2CCN(Cc3cccc(=O)n3C)CC2)ncn1
InChIInChI=1S/C17H23N5O2/c1-21-14(4-3-5-17(21)23)11-22-8-6-13(7-9-22)20-15-10-16(24-2)19-12-18-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeyMBWLEMDURQSPJR-UHFFFAOYSA-N
XLogP1.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 126888135) is 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is COc1cc(NC2CCN(Cc3cccc(=O)n3C)CC2)ncn1.
What is the InChIKey of 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is MBWLEMDURQSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-14(4-3-5-17(21)23)11-22-8-6-13(7-9-22)20-15-10-16(24-2)19-12-18-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 126888135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).