3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

C16H22N4O4 — CID 129000438

IUPAC3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CN(C(=O)C3=COCCC3)CCO2)c1=O
InChIInChI=1S/C16H22N4O4/c1-19-5-4-17-14(16(19)22)18-9-13-10-20(6-8-24-13)15(21)12-3-2-7-23-11-12/h4-5,11,13H,2-3,6-10H2,1H3,(H,17,18)
InChIKeyQKWYIGOCSWIBJL-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.11
Rot. Bonds4

About 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one

3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (PubChem CID 129000438) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
PubChem CID129000438
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CN(C(=O)C3=COCCC3)CCO2)c1=O
InChIInChI=1S/C16H22N4O4/c1-19-5-4-17-14(16(19)22)18-9-13-10-20(6-8-24-13)15(21)12-3-2-7-23-11-12/h4-5,11,13H,2-3,6-10H2,1H3,(H,17,18)
InChIKeyQKWYIGOCSWIBJL-UHFFFAOYSA-N
XLogP0.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one with MolForge

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Related Compounds

1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129344172
1-methyl-3-[[(2R)-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129341885
2-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 129000674
1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129338615
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129340708
3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129344097
1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129002643
3-[[(2R)-4-[(2S)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341750
3-[[(2S)-4-[(2R)-2-hydroxy-2-phenylacetyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129341753
1-methyl-3-[[4-(2-pyridin-3-ylpropanoyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 128968480
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
3-[[(2R)-4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129343751

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one (CID 129000438) is 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is Cn1ccnc(NCC2CN(C(=O)C3=COCCC3)CCO2)c1=O.
What is the InChIKey of 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
The InChIKey is QKWYIGOCSWIBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-5-4-17-14(16(19)22)18-9-13-10-20(6-8-24-13)15(21)12-3-2-7-23-11-12/h4-5,11,13H,2-3,6-10H2,1H3,(H,17,18).
What are the key properties of 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one?
3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one has a molecular weight of 334.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 129000438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).