2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide

C14H22N4O6 — CID 22457886

IUPAC2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
SMILESCN(CC(O)CO)C(=O)c1cncc(C(=O)N(C)CC(O)CO)n1
InChIInChI=1S/C14H22N4O6/c1-17(5-9(21)7-19)13(23)11-3-15-4-12(16-11)14(24)18(2)6-10(22)8-20/h3-4,9-10,19-22H,5-8H2,1-2H3
InChIKeyNJBGYGPVFXVXAW-UHFFFAOYSA-N
MW342.35 g/mol
LogP-2.67
Rot. Bonds8

About 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide

2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide (PubChem CID 22457886) has the molecular formula C14H22N4O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
PubChem CID22457886
Molecular FormulaC14H22N4O6
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
SMILESCN(CC(O)CO)C(=O)c1cncc(C(=O)N(C)CC(O)CO)n1
InChIInChI=1S/C14H22N4O6/c1-17(5-9(21)7-19)13(23)11-3-15-4-12(16-11)14(24)18(2)6-10(22)8-20/h3-4,9-10,19-22H,5-8H2,1-2H3
InChIKeyNJBGYGPVFXVXAW-UHFFFAOYSA-N
XLogP-2.67
TPSA147.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide (CID 22457886) is 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide is CN(CC(O)CO)C(=O)c1cncc(C(=O)N(C)CC(O)CO)n1.
What is the InChIKey of 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide?
The InChIKey is NJBGYGPVFXVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O6/c1-17(5-9(21)7-19)13(23)11-3-15-4-12(16-11)14(24)18(2)6-10(22)8-20/h3-4,9-10,19-22H,5-8H2,1-2H3.
What are the key properties of 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide?
2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide has a molecular weight of 342.35 g/mol, XLogP of -2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide is sourced from PubChem (CID 22457886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).