2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C9H10N4O — CID 59099267

IUPAC2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILES[C-]#[N+]CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H10N4O/c1-7-3-12-8(4-11-7)5-13-9(14)6-10-2/h3-4H,5-6H2,1H3,(H,13,14)
InChIKeyWWDGRKIASVQEGC-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.32
Rot. Bonds3

About 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 59099267) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID59099267
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILES[C-]#[N+]CC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C9H10N4O/c1-7-3-12-8(4-11-7)5-13-9(14)6-10-2/h3-4H,5-6H2,1H3,(H,13,14)
InChIKeyWWDGRKIASVQEGC-UHFFFAOYSA-N
XLogP0.32
TPSA59.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 59099267) is 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide is [C-]#[N+]CC(=O)NCc1cnc(C)cn1.
What is the InChIKey of 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is WWDGRKIASVQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-3-12-8(4-11-7)5-13-9(14)6-10-2/h3-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 190.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 59099267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).