4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide

C13H12ClN3O2 — CID 114561799

IUPAC4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccnc(Cl)c1=O
InChIInChI=1S/C13H12ClN3O2/c1-8-6-9(12(15)18)2-3-10(8)7-17-5-4-16-11(14)13(17)19/h2-6H,7H2,1H3,(H2,15,18)
InChIKeyZXFDEQMIOMEIDK-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.35
Rot. Bonds3

About 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide

4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide (PubChem CID 114561799) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
PubChem CID114561799
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Cn1ccnc(Cl)c1=O
InChIInChI=1S/C13H12ClN3O2/c1-8-6-9(12(15)18)2-3-10(8)7-17-5-4-16-11(14)13(17)19/h2-6H,7H2,1H3,(H2,15,18)
InChIKeyZXFDEQMIOMEIDK-UHFFFAOYSA-N
XLogP1.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
3-methyl-4-[(2-oxo-3-propan-2-ylimidazol-1-yl)methyl]benzamide
CID 114485990
3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
CID 114485945
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
3-chloro-4-[(2-oxo-3-propylimidazol-1-yl)methyl]benzamide
CID 102670427
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
3-chloro-4-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102670068
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide (CID 114561799) is 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1Cn1ccnc(Cl)c1=O.
What is the InChIKey of 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide?
The InChIKey is ZXFDEQMIOMEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-6-9(12(15)18)2-3-10(8)7-17-5-4-16-11(14)13(17)19/h2-6H,7H2,1H3,(H2,15,18).
What are the key properties of 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide?
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 114561799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).