N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide

C10H13N3O5 — CID 66599796

IUPACN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnccn1
InChIInChI=1S/C10H13N3O5/c14-4-6-7(15)8(16)10(18-6)13-9(17)5-3-11-1-2-12-5/h1-3,6-8,10,14-16H,4H2,(H,13,17)/t6-,7-,8-,10?/m1/s1
InChIKeyFWSHWMPEPMKYFE-JSDYZDKHSA-N
MW255.23 g/mol
LogP-2.35
Rot. Bonds3

About N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide

N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide (PubChem CID 66599796) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide
PubChem CID66599796
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC NameN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide
SMILESO=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnccn1
InChIInChI=1S/C10H13N3O5/c14-4-6-7(15)8(16)10(18-6)13-9(17)5-3-11-1-2-12-5/h1-3,6-8,10,14-16H,4H2,(H,13,17)/t6-,7-,8-,10?/m1/s1
InChIKeyFWSHWMPEPMKYFE-JSDYZDKHSA-N
XLogP-2.35
TPSA124.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide (CID 66599796) is N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide is O=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnccn1.
What is the InChIKey of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide?
The InChIKey is FWSHWMPEPMKYFE-JSDYZDKHSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-4-6-7(15)8(16)10(18-6)13-9(17)5-3-11-1-2-12-5/h1-3,6-8,10,14-16H,4H2,(H,13,17)/t6-,7-,8-,10?/m1/s1.
What are the key properties of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide?
N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide has a molecular weight of 255.23 g/mol, XLogP of -2.35, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 66599796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).