(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide

C14H18N6O4 — CID 88938453

IUPAC(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide
SMILESCC[C@@H](C(=O)NCC=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C14H18N6O4/c1-3-11(13(22)16-5-7-21)20-6-4-15-12(14(20)23)17-8-10-9(2)18-24-19-10/h4,6-7,11H,3,5,8H2,1-2H3,(H,15,17)(H,16,22)/t11-/m0/s1
InChIKeyCCIQWKILFZHFOW-NSHDSACASA-N
MW334.34 g/mol
LogP-0.19
Rot. Bonds8

About (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide

(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide (PubChem CID 88938453) has the molecular formula C14H18N6O4 and a molecular weight of 334.34 g/mol. Its IUPAC name is (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide
PubChem CID88938453
Molecular FormulaC14H18N6O4
Molecular Weight334.34 g/mol
Exact Mass334.14
IUPAC Name(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide
SMILESCC[C@@H](C(=O)NCC=O)n1ccnc(NCc2nonc2C)c1=O
InChIInChI=1S/C14H18N6O4/c1-3-11(13(22)16-5-7-21)20-6-4-15-12(14(20)23)17-8-10-9(2)18-24-19-10/h4,6-7,11H,3,5,8H2,1-2H3,(H,15,17)(H,16,22)/t11-/m0/s1
InChIKeyCCIQWKILFZHFOW-NSHDSACASA-N
XLogP-0.19
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-4-oxo-butyric acid
CID 44389325
(3S)-3-[[(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]butanoyl]amino]-4-oxobutanoic acid
CID 9952429
3-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxohexan-3-yl)pyrazin-2-one
CID 22969687
5-Tert-butyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969709
3-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969710
3-[(4-Methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969711
3-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)-5-propan-2-ylpyrazin-2-one
CID 22969719
1-(1-Methoxy-3-oxobutan-2-yl)-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
CID 22969720
6-Ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopropyl)pyrazin-2-one
CID 22969723
1-Methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]pyrazin-2-one
CID 22969728
5-Ethyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969859
5-Chloro-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 58766266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide?
The IUPAC name of (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide (CID 88938453) is (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide.
What is the SMILES notation for (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide?
The canonical SMILES for (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide is CC[C@@H](C(=O)NCC=O)n1ccnc(NCc2nonc2C)c1=O.
What is the InChIKey of (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide?
The InChIKey is CCIQWKILFZHFOW-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O4/c1-3-11(13(22)16-5-7-21)20-6-4-15-12(14(20)23)17-8-10-9(2)18-24-19-10/h4,6-7,11H,3,5,8H2,1-2H3,(H,15,17)(H,16,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide?
(2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide has a molecular weight of 334.34 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-oxopyrazin-1-yl]-N-(2-oxoethyl)butanamide is sourced from PubChem (CID 88938453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).