2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide

C13H12ClN3O2 — CID 114561806

IUPAC2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccnc(Cl)c2=O)c1
InChIInChI=1S/C13H12ClN3O2/c1-9-3-2-4-10(7-9)16-11(18)8-17-6-5-15-12(14)13(17)19/h2-7H,8H2,1H3,(H,16,18)
InChIKeyIWICQKFJGUQLQN-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.84
Rot. Bonds3

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

2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 114561806) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID114561806
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccnc(Cl)c2=O)c1
InChIInChI=1S/C13H12ClN3O2/c1-9-3-2-4-10(7-9)16-11(18)8-17-6-5-15-12(14)13(17)19/h2-7H,8H2,1H3,(H,16,18)
InChIKeyIWICQKFJGUQLQN-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-oxopyrazin-1-yl)-N-(2-methylphenyl)acetamide
CID 114561768
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-[4-(3-chloro-4-fluorophenyl)-2,3-dioxopyrazin-1-yl]-N-(3-methylphenyl)acetamide
CID 7286900
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-(3-chlorophenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721442

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide (CID 114561806) is 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccnc(Cl)c2=O)c1.
What is the InChIKey of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is IWICQKFJGUQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-9-3-2-4-10(7-9)16-11(18)8-17-6-5-15-12(14)13(17)19/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide?
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 277.71 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 114561806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).