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

C11H14ClN3O6 — CID 155540844

IUPAC6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(Cl)nc(C(N)=O)c1=O
InChIInChI=1S/C11H14ClN3O6/c1-11(20)7(17)4(3-16)21-10(11)15-2-5(12)14-6(8(13)18)9(15)19/h2,4,7,10,16-17,20H,3H2,1H3,(H2,13,18)/t4-,7-,10-,11-/m1/s1
InChIKeyMCCKWXKHSAYRAW-HHXMPLFPSA-N
MW319.70 g/mol
LogP-2.00
Rot. Bonds3

About 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide

6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (PubChem CID 155540844) has the molecular formula C11H14ClN3O6 and a molecular weight of 319.70 g/mol. Its IUPAC name is 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
PubChem CID155540844
Molecular FormulaC11H14ClN3O6
Molecular Weight319.70 g/mol
Exact Mass319.06
IUPAC Name6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(Cl)nc(C(N)=O)c1=O
InChIInChI=1S/C11H14ClN3O6/c1-11(20)7(17)4(3-16)21-10(11)15-2-5(12)14-6(8(13)18)9(15)19/h2,4,7,10,16-17,20H,3H2,1H3,(H2,13,18)/t4-,7-,10-,11-/m1/s1
InChIKeyMCCKWXKHSAYRAW-HHXMPLFPSA-N
XLogP-2.00
TPSA147.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The IUPAC name of 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide (CID 155540844) is 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(Cl)nc(C(N)=O)c1=O.
What is the InChIKey of 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
The InChIKey is MCCKWXKHSAYRAW-HHXMPLFPSA-N. The full InChI is InChI=1S/C11H14ClN3O6/c1-11(20)7(17)4(3-16)21-10(11)15-2-5(12)14-6(8(13)18)9(15)19/h2,4,7,10,16-17,20H,3H2,1H3,(H2,13,18)/t4-,7-,10-,11-/m1/s1.
What are the key properties of 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide?
6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide has a molecular weight of 319.70 g/mol, XLogP of -2.00, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 155540844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).