2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide

C11H14ClN3O3 — CID 114561538

IUPAC2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccnc(Cl)c1=O)NC1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c12-10-11(17)15(4-3-13-10)7-9(16)14-8-1-5-18-6-2-8/h3-4,8H,1-2,5-7H2,(H,14,16)
InChIKeyFNDDTGCECRXTHJ-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.19
Rot. Bonds3

About 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide

2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 114561538) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID114561538
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1ccnc(Cl)c1=O)NC1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c12-10-11(17)15(4-3-13-10)7-9(16)14-8-1-5-18-6-2-8/h3-4,8H,1-2,5-7H2,(H,14,16)
InChIKeyFNDDTGCECRXTHJ-UHFFFAOYSA-N
XLogP0.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66400704
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 114583697
2-(4-formylimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 106716532
1-[2-(azepan-1-yl)-2-oxoethyl]-3-chloropyrazin-2-one
CID 114561652
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
2-(3-chloro-2-oxopyrazin-1-yl)-N-(2-methylphenyl)acetamide
CID 114561768
2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide
CID 136555397
2-ethyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]imidazole-4-sulfonyl chloride
CID 82911196

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide (CID 114561538) is 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide is O=C(Cn1ccnc(Cl)c1=O)NC1CCOCC1.
What is the InChIKey of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is FNDDTGCECRXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-10-11(17)15(4-3-13-10)7-9(16)14-8-1-5-18-6-2-8/h3-4,8H,1-2,5-7H2,(H,14,16).
What are the key properties of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide?
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 271.70 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 114561538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).