3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide

C9H13N3O3 — CID 171898628

IUPAC3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
SMILESCc1cncc(C(O)C(O)CC(N)=O)n1
InChIInChI=1S/C9H13N3O3/c1-5-3-11-4-6(12-5)9(15)7(13)2-8(10)14/h3-4,7,9,13,15H,2H2,1H3,(H2,10,14)
InChIKeyNPACJULSNQTAKS-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.95
Rot. Bonds4

About 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide

3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide (PubChem CID 171898628) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
PubChem CID171898628
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide
SMILESCc1cncc(C(O)C(O)CC(N)=O)n1
InChIInChI=1S/C9H13N3O3/c1-5-3-11-4-6(12-5)9(15)7(13)2-8(10)14/h3-4,7,9,13,15H,2H2,1H3,(H2,10,14)
InChIKeyNPACJULSNQTAKS-UHFFFAOYSA-N
XLogP-0.95
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-3-(6-methylpyrazin-2-yl)propanoic acid
CID 170823436
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885
4-(5-acetyl-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899288
3,4-dihydroxy-4-[6-(hydroxymethyl)-2-pyridinyl]butanamide
CID 171898958
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
3,4-dihydroxy-4-[2-(methylamino)pyrimidin-5-yl]butanamide
CID 171898981
ethyl 4-(5,6-diaminopyrazin-2-yl)-3,4-dihydroxybutanoate
CID 171897017
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(4-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899224

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide (CID 171898628) is 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide is Cc1cncc(C(O)C(O)CC(N)=O)n1.
What is the InChIKey of 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide?
The InChIKey is NPACJULSNQTAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-3-11-4-6(12-5)9(15)7(13)2-8(10)14/h3-4,7,9,13,15H,2H2,1H3,(H2,10,14).
What are the key properties of 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide?
3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide has a molecular weight of 211.22 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(6-methylpyrazin-2-yl)butanamide is sourced from PubChem (CID 171898628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).