N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide

C14H21N3O4 — CID 155996508

IUPACN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCO[C@H]1[C@H](N(C)C(=O)c2cnc(C)cn2)COC[C@H]1OC
InChIInChI=1S/C14H21N3O4/c1-9-5-16-10(6-15-9)14(18)17(2)11-7-21-8-12(19-3)13(11)20-4/h5-6,11-13H,7-8H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyHQXBPBMWPQOSBA-UPJWGTAASA-N
MW295.34 g/mol
LogP0.29
Rot. Bonds4

About N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide

N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 155996508) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID155996508
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCO[C@H]1[C@H](N(C)C(=O)c2cnc(C)cn2)COC[C@H]1OC
InChIInChI=1S/C14H21N3O4/c1-9-5-16-10(6-15-9)14(18)17(2)11-7-21-8-12(19-3)13(11)20-4/h5-6,11-13H,7-8H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyHQXBPBMWPQOSBA-UPJWGTAASA-N
XLogP0.29
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide (CID 155996508) is N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide is CO[C@H]1[C@H](N(C)C(=O)c2cnc(C)cn2)COC[C@H]1OC.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is HQXBPBMWPQOSBA-UPJWGTAASA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-5-16-10(6-15-9)14(18)17(2)11-7-21-8-12(19-3)13(11)20-4/h5-6,11-13H,7-8H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide?
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 155996508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).