4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide

C11H15N3O6 — CID 59842237

IUPAC4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESCC1(O)C(O)[C@@H](CO)O[C@H]1n1ccnc(C(N)=O)c1=O
InChIInChI=1S/C11H15N3O6/c1-11(19)7(16)5(4-15)20-10(11)14-3-2-13-6(8(12)17)9(14)18/h2-3,5,7,10,15-16,19H,4H2,1H3,(H2,12,17)/t5-,7?,10-,11?/m1/s1
InChIKeyXANXQCWODOPPFW-XGVAEZDOSA-N
MW285.26 g/mol
LogP-2.66
Rot. Bonds3

About 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide

4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (PubChem CID 59842237) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
PubChem CID59842237
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESCC1(O)C(O)[C@@H](CO)O[C@H]1n1ccnc(C(N)=O)c1=O
InChIInChI=1S/C11H15N3O6/c1-11(19)7(16)5(4-15)20-10(11)14-3-2-13-6(8(12)17)9(14)18/h2-3,5,7,10,15-16,19H,4H2,1H3,(H2,12,17)/t5-,7?,10-,11?/m1/s1
InChIKeyXANXQCWODOPPFW-XGVAEZDOSA-N
XLogP-2.66
TPSA147.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (CID 59842237) is 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is CC1(O)C(O)[C@@H](CO)O[C@H]1n1ccnc(C(N)=O)c1=O.
What is the InChIKey of 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The InChIKey is XANXQCWODOPPFW-XGVAEZDOSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-11(19)7(16)5(4-15)20-10(11)14-3-2-13-6(8(12)17)9(14)18/h2-3,5,7,10,15-16,19H,4H2,1H3,(H2,12,17)/t5-,7?,10-,11?/m1/s1.
What are the key properties of 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide has a molecular weight of 285.26 g/mol, XLogP of -2.66, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 59842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).