N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide

C12H17N3O3 — CID 91794064

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)Cc1cnccn1
InChIInChI=1S/C12H17N3O3/c1-17-11-2-5-18-8-10(11)15-12(16)6-9-7-13-3-4-14-9/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyBKARZSOKTSZDAN-GHMZBOCLSA-N
MW251.29 g/mol
LogP-0.06
Rot. Bonds4

About N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide (PubChem CID 91794064) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide
PubChem CID91794064
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)Cc1cnccn1
InChIInChI=1S/C12H17N3O3/c1-17-11-2-5-18-8-10(11)15-12(16)6-9-7-13-3-4-14-9/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyBKARZSOKTSZDAN-GHMZBOCLSA-N
XLogP-0.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide (CID 91794064) is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide is CO[C@@H]1CCOC[C@H]1NC(=O)Cc1cnccn1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide?
The InChIKey is BKARZSOKTSZDAN-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11-2-5-18-8-10(11)15-12(16)6-9-7-13-3-4-14-9/h3-4,7,10-11H,2,5-6,8H2,1H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 91794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).