4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol

C13H20N2O5 — CID 66786456

IUPAC4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
SMILESCc1cncc(C(N)=O)c1C.OC[C@H]1OC(O)C[C@@H]1O
InChIInChI=1S/C8H10N2O.C5H10O4/c1-5-3-10-4-7(6(5)2)8(9)11;6-2-4-3(7)1-5(8)9-4/h3-4H,1-2H3,(H2,9,11);3-8H,1-2H2/t;3-,4+,5?/m.0/s1
InChIKeySOJRBKZNGCYNSZ-YJHDKNNJSA-N
MW284.31 g/mol
LogP-0.76
Rot. Bonds2

About 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol

4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol (PubChem CID 66786456) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
PubChem CID66786456
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
SMILESCc1cncc(C(N)=O)c1C.OC[C@H]1OC(O)C[C@@H]1O
InChIInChI=1S/C8H10N2O.C5H10O4/c1-5-3-10-4-7(6(5)2)8(9)11;6-2-4-3(7)1-5(8)9-4/h3-4H,1-2H3,(H2,9,11);3-8H,1-2H2/t;3-,4+,5?/m.0/s1
InChIKeySOJRBKZNGCYNSZ-YJHDKNNJSA-N
XLogP-0.76
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol (CID 66786456) is 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol is Cc1cncc(C(N)=O)c1C.OC[C@H]1OC(O)C[C@@H]1O.
What is the InChIKey of 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is SOJRBKZNGCYNSZ-YJHDKNNJSA-N. The full InChI is InChI=1S/C8H10N2O.C5H10O4/c1-5-3-10-4-7(6(5)2)8(9)11;6-2-4-3(7)1-5(8)9-4/h3-4H,1-2H3,(H2,9,11);3-8H,1-2H2/t;3-,4+,5?/m.0/s1.
What are the key properties of 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol?
4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 284.31 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyridine-3-carboxamide;(4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 66786456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).