4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one

C17H20N4O2S — CID 172656981

IUPAC4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one
SMILESCc1cnc(Cn2ccc(C)c(C(=O)N3CCSCC3)c2=O)cn1
InChIInChI=1S/C17H20N4O2S/c1-12-3-4-21(11-14-10-18-13(2)9-19-14)17(23)15(12)16(22)20-5-7-24-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyOKZPYJDWDAISEZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one (PubChem CID 172656981) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one
PubChem CID172656981
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one
SMILESCc1cnc(Cn2ccc(C)c(C(=O)N3CCSCC3)c2=O)cn1
InChIInChI=1S/C17H20N4O2S/c1-12-3-4-21(11-14-10-18-13(2)9-19-14)17(23)15(12)16(22)20-5-7-24-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyOKZPYJDWDAISEZ-UHFFFAOYSA-N
XLogP1.49
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172667643
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one
CID 172662066
4-methyl-1-(2-morpholin-4-ylethyl)-3-(thiomorpholine-4-carbonyl)pyridin-2-one
CID 172661079
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-pyridin-3-ylpyridine-3-carboxamide
CID 172671758
4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
CID 172669996
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 172662318
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172657449
3-[2-(3-fluorophenyl)azepane-1-carbonyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
CID 172672855
N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172673887
3-[(1R,5R,6S,7S)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carbonyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
CID 172663081
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172667695
N-[(3,4-difluorophenyl)methyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172671574

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one (CID 172656981) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one is Cc1cnc(Cn2ccc(C)c(C(=O)N3CCSCC3)c2=O)cn1.
What is the InChIKey of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
The InChIKey is OKZPYJDWDAISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-3-4-21(11-14-10-18-13(2)9-19-14)17(23)15(12)16(22)20-5-7-24-8-6-20/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one?
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one has a molecular weight of 344.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(thiomorpholine-4-carbonyl)pyridin-2-one is sourced from PubChem (CID 172656981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).