(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide

C10H12ClN3O — CID 107595653

IUPAC(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c1-3-4-7(2)10(15)14-9-6-12-8(11)5-13-9/h4-6H,3H2,1-2H3,(H,13,14,15)/b7-4-
InChIKeyLQZZIACKOOKSIN-DAXSKMNVSA-N
MW225.68 g/mol
LogP2.42
Rot. Bonds3

About (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide

(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide (PubChem CID 107595653) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide
PubChem CID107595653
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C10H12ClN3O/c1-3-4-7(2)10(15)14-9-6-12-8(11)5-13-9/h4-6H,3H2,1-2H3,(H,13,14,15)/b7-4-
InChIKeyLQZZIACKOOKSIN-DAXSKMNVSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide (CID 107595653) is (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide?
The InChIKey is LQZZIACKOOKSIN-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-3-4-7(2)10(15)14-9-6-12-8(11)5-13-9/h4-6H,3H2,1-2H3,(H,13,14,15)/b7-4-.
What are the key properties of (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide?
(Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide has a molecular weight of 225.68 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-chloropyrazin-2-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 107595653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).