3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one

C16H21N5O — CID 135106422

IUPAC3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCN(c3cnccn3)CC2)c(C)c1=O
InChIInChI=1S/C16H21N5O/c1-12-9-19-14(13(2)16(12)22)11-20-5-7-21(8-6-20)15-10-17-3-4-18-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyIYODWJLTUUFWRP-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.10
Rot. Bonds3

About 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one

3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one (PubChem CID 135106422) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one
PubChem CID135106422
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CCN(c3cnccn3)CC2)c(C)c1=O
InChIInChI=1S/C16H21N5O/c1-12-9-19-14(13(2)16(12)22)11-20-5-7-21(8-6-20)15-10-17-3-4-18-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22)
InChIKeyIYODWJLTUUFWRP-UHFFFAOYSA-N
XLogP1.10
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)-1H-pyridin-4-one
CID 91828745
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
1-pyrazin-2-ylpiperidin-4-one
CID 14156398
2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
CID 143263223
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(4-iodopiperazin-1-yl)pyrazine
CID 143021662
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
3,5-dimethyl-2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1H-pyridin-4-one
CID 91830839
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
2-[4-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
CID 56701590

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one (CID 135106422) is 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one is Cc1c[nH]c(CN2CCN(c3cnccn3)CC2)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one?
The InChIKey is IYODWJLTUUFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-9-19-14(13(2)16(12)22)11-20-5-7-21(8-6-20)15-10-17-3-4-18-15/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one?
3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one has a molecular weight of 299.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 135106422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).