1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide

C9H13N3O3 — CID 54163101

IUPAC1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide
SMILESCNC(=O)C1=CN(C(C)=O)CCN1C=O
InChIInChI=1S/C9H13N3O3/c1-7(14)11-3-4-12(6-13)8(5-11)9(15)10-2/h5-6H,3-4H2,1-2H3,(H,10,15)
InChIKeyOPUFAXKGQYFFQW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.11
Rot. Bonds2

About 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide

1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide (PubChem CID 54163101) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide
PubChem CID54163101
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide
SMILESCNC(=O)C1=CN(C(C)=O)CCN1C=O
InChIInChI=1S/C9H13N3O3/c1-7(14)11-3-4-12(6-13)8(5-11)9(15)10-2/h5-6H,3-4H2,1-2H3,(H,10,15)
InChIKeyOPUFAXKGQYFFQW-UHFFFAOYSA-N
XLogP-1.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
4-Formyl-1-trifluoroacetyl-1,4,5,6-tetrahydropyrazine-2-carboxylic acid tert-butylamide
CID 54033282
N-methyl-4-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 141887590
2-Acetamido-N,N-diethylprop-2-enamide
CID 45119415
2-[acetyl(methyl)amino]-N-methylprop-2-enamide
CID 102342339
N-acetyl-2,3-bis(dimethylamino)propenamide
CID 176548506
5-(Diethylamino)uracil
CID 3487741
2-(dimethylamino)-N-ethylprop-2-enamide
CID 10419291
1,4-Diacetyl-1,4,5,6-tetrahydropyrazine-2-carboxylic acid tert-butylamide
CID 11021867
1-Acetyl-1,4,5,6-tetrahydropyrazine-2-carboxylic acid tert-butylamide
CID 15508343

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide?
The IUPAC name of 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide (CID 54163101) is 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide.
What is the SMILES notation for 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide?
The canonical SMILES for 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide is CNC(=O)C1=CN(C(C)=O)CCN1C=O.
What is the InChIKey of 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide?
The InChIKey is OPUFAXKGQYFFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7(14)11-3-4-12(6-13)8(5-11)9(15)10-2/h5-6H,3-4H2,1-2H3,(H,10,15).
What are the key properties of 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide?
1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide is sourced from PubChem (CID 54163101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).