2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide

C16H22N6O4 — CID 129002742

IUPAC2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC(CN(C)c3nccn(C)c3=O)C2)no1
InChIInChI=1S/C16H22N6O4/c1-11-8-13(19-26-11)18-16(24)22-6-7-25-12(10-22)9-21(3)14-15(23)20(2)5-4-17-14/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19,24)
InChIKeyOTVFWZLJTDQNDE-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.45
Rot. Bonds4

About 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide

2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide (PubChem CID 129002742) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
PubChem CID129002742
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC Name2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCOC(CN(C)c3nccn(C)c3=O)C2)no1
InChIInChI=1S/C16H22N6O4/c1-11-8-13(19-26-11)18-16(24)22-6-7-25-12(10-22)9-21(3)14-15(23)20(2)5-4-17-14/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19,24)
InChIKeyOTVFWZLJTDQNDE-UHFFFAOYSA-N
XLogP0.45
TPSA105.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-[methyl-[[(2S)-4-(2-methylfuran-3-carbonyl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333935
3-[[4-(5,6-dimethylpyridazin-3-yl)morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 128997729
1-methyl-3-[methyl-[[(2S)-4-[3-(2-methylimidazol-1-yl)propyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129334937
3-[[(2R)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129332131
3-[[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129334222
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
1-methyl-3-[methyl-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]amino]pyrazin-2-one;hydrochloride
CID 120856849
3-[[(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methyl-methylamino]-1-methylpyrazin-2-one
CID 129339094
1-methyl-3-[methyl-[[(2R)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 129333450
6-[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 129331971
1-methyl-3-[methyl-[[4-[(3-methylpyrrolidin-3-yl)methyl]morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 120905223
5-[[(2R)-2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129344570

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide?
The IUPAC name of 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide (CID 129002742) is 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCOC(CN(C)c3nccn(C)c3=O)C2)no1.
What is the InChIKey of 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide?
The InChIKey is OTVFWZLJTDQNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-11-8-13(19-26-11)18-16(24)22-6-7-25-12(10-22)9-21(3)14-15(23)20(2)5-4-17-14/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,18,19,24).
What are the key properties of 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide?
2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(5-methyl-1,2-oxazol-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129002742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).