N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide

C10H13ClN4O — CID 170488447

IUPACN-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ncc(N)nc1Cl
InChIInChI=1S/C10H13ClN4O/c1-7(16)13-5-3-2-4-8-10(11)15-9(12)6-14-8/h2,4,6H,3,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyPKWQTRQLADRSGY-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.25
Rot. Bonds4

About N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide

N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide (PubChem CID 170488447) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
PubChem CID170488447
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC NameN-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ncc(N)nc1Cl
InChIInChI=1S/C10H13ClN4O/c1-7(16)13-5-3-2-4-8-10(11)15-9(12)6-14-8/h2,4,6H,3,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyPKWQTRQLADRSGY-UHFFFAOYSA-N
XLogP1.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide (CID 170488447) is N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ncc(N)nc1Cl.
What is the InChIKey of N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide?
The InChIKey is PKWQTRQLADRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-7(16)13-5-3-2-4-8-10(11)15-9(12)6-14-8/h2,4,6H,3,5H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide?
N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide has a molecular weight of 240.69 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-3-chloropyrazin-2-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).