4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide

C11H15N3O5 — CID 123674708

IUPAC4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide
SMILESNC(=O)c1nccn(C2CC(CO)C(O)C2O)c1=O
InChIInChI=1S/C11H15N3O5/c12-10(18)7-11(19)14(2-1-13-7)6-3-5(4-15)8(16)9(6)17/h1-2,5-6,8-9,15-17H,3-4H2,(H2,12,18)
InChIKeyGWIJLGWDSIFGSU-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.38
Rot. Bonds3

About 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide

4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide (PubChem CID 123674708) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide
PubChem CID123674708
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide
SMILESNC(=O)c1nccn(C2CC(CO)C(O)C2O)c1=O
InChIInChI=1S/C11H15N3O5/c12-10(18)7-11(19)14(2-1-13-7)6-3-5(4-15)8(16)9(6)17/h1-2,5-6,8-9,15-17H,3-4H2,(H2,12,18)
InChIKeyGWIJLGWDSIFGSU-UHFFFAOYSA-N
XLogP-2.38
TPSA138.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide (CID 123674708) is 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide is NC(=O)c1nccn(C2CC(CO)C(O)C2O)c1=O.
What is the InChIKey of 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide?
The InChIKey is GWIJLGWDSIFGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-10(18)7-11(19)14(2-1-13-7)6-3-5(4-15)8(16)9(6)17/h1-2,5-6,8-9,15-17H,3-4H2,(H2,12,18).
What are the key properties of 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide?
4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of -2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 123674708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).