3-acetamidopyrazine-2-carboxylic acid

C7H7N3O3 — CID 10511603

IUPAC3-acetamidopyrazine-2-carboxylic acid
SMILESCC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C7H7N3O3/c1-4(11)10-6-5(7(12)13)8-2-3-9-6/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyDFHJWBVMALKEHL-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.13
Rot. Bonds2

About 3-acetamidopyrazine-2-carboxylic acid

3-acetamidopyrazine-2-carboxylic acid (PubChem CID 10511603) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-acetamidopyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-acetamidopyrazine-2-carboxylic acid
PubChem CID10511603
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name3-acetamidopyrazine-2-carboxylic acid
SMILESCC(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C7H7N3O3/c1-4(11)10-6-5(7(12)13)8-2-3-9-6/h2-3H,1H3,(H,12,13)(H,9,10,11)
InChIKeyDFHJWBVMALKEHL-UHFFFAOYSA-N
XLogP0.13
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
CID 83025369
N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide
CID 12869122
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-(2-methylpentan-3-ylamino)pyrazine-2-carboxylic acid
CID 62709321
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65157287
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262328
3-[(3,4,5-trifluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262348
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103

Frequently Asked Questions

What is the IUPAC name of 3-acetamidopyrazine-2-carboxylic acid?
The IUPAC name of 3-acetamidopyrazine-2-carboxylic acid (CID 10511603) is 3-acetamidopyrazine-2-carboxylic acid.
What is the SMILES notation for 3-acetamidopyrazine-2-carboxylic acid?
The canonical SMILES for 3-acetamidopyrazine-2-carboxylic acid is CC(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-acetamidopyrazine-2-carboxylic acid?
The InChIKey is DFHJWBVMALKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-4(11)10-6-5(7(12)13)8-2-3-9-6/h2-3H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 3-acetamidopyrazine-2-carboxylic acid?
3-acetamidopyrazine-2-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopyrazine-2-carboxylic acid is sourced from PubChem (CID 10511603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).