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

C11H15N3O6 — CID 155537688

IUPAC4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESC[C@]1(CO)O[C@@H](n2ccnc(C(N)=O)c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N3O6/c1-11(4-15)7(17)6(16)10(20-11)14-3-2-13-5(8(12)18)9(14)19/h2-3,6-7,10,15-17H,4H2,1H3,(H2,12,18)/t6-,7+,10-,11-/m1/s1
InChIKeyIWRTYUZXZWTJBK-LRMGWDNHSA-N
MW285.26 g/mol
LogP-2.66
Rot. Bonds3

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

4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (PubChem CID 155537688) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
PubChem CID155537688
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESC[C@]1(CO)O[C@@H](n2ccnc(C(N)=O)c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N3O6/c1-11(4-15)7(17)6(16)10(20-11)14-3-2-13-5(8(12)18)9(14)19/h2-3,6-7,10,15-17H,4H2,1H3,(H2,12,18)/t6-,7+,10-,11-/m1/s1
InChIKeyIWRTYUZXZWTJBK-LRMGWDNHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (CID 155537688) is 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is C[C@]1(CO)O[C@@H](n2ccnc(C(N)=O)c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The InChIKey is IWRTYUZXZWTJBK-LRMGWDNHSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-11(4-15)7(17)6(16)10(20-11)14-3-2-13-5(8(12)18)9(14)19/h2-3,6-7,10,15-17H,4H2,1H3,(H2,12,18)/t6-,7+,10-,11-/m1/s1.
What are the key properties of 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-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,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 155537688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).