1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

C17H21N5O4 — CID 129338615

IUPAC1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCc1cc(C(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C17H21N5O4/c1-11-7-12(8-14(23)20-11)16(24)22-5-6-26-13(10-22)9-19-15-17(25)21(2)4-3-18-15/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,23)/t13-/m0/s1
InChIKeyNJEQWHBJNBYTON-ZDUSSCGKSA-N
MW359.39 g/mol
LogP-0.27
Rot. Bonds4

About 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one

1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (PubChem CID 129338615) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
PubChem CID129338615
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
SMILESCc1cc(C(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C17H21N5O4/c1-11-7-12(8-14(23)20-11)16(24)22-5-6-26-13(10-22)9-19-15-17(25)21(2)4-3-18-15/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,23)/t13-/m0/s1
InChIKeyNJEQWHBJNBYTON-ZDUSSCGKSA-N
XLogP-0.27
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one with MolForge

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Related Compounds

3-[[(2R)-4-(4-chloro-1H-pyrrole-2-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129344097
1-methyl-3-[[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129344172
1-methyl-3-[[4-(1-propylpyrazole-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one
CID 129002643
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
3-[[4-(3,4-dihydro-2H-pyran-5-carbonyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129000438
3-[[(2S)-4-(2,3-difluorobenzoyl)morpholin-2-yl]methylamino]-1-methylpyrazin-2-one
CID 129340708
1-methyl-3-[[(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholin-2-yl]methylamino]pyrazin-2-one
CID 129339038
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
6-methyl-4-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carbonyl]-1H-pyridin-2-one
CID 99946860

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one (CID 129338615) is 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is Cc1cc(C(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
The InChIKey is NJEQWHBJNBYTON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-11-7-12(8-14(23)20-11)16(24)22-5-6-26-13(10-22)9-19-15-17(25)21(2)4-3-18-15/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,18,19)(H,20,23)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one?
1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one has a molecular weight of 359.39 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(2S)-4-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)morpholin-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129338615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).