N-(3-chloropyrazin-2-yl)prop-2-enamide

C7H6ClN3O — CID 102989286

IUPACN-(3-chloropyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C7H6ClN3O/c1-2-5(12)11-7-6(8)9-3-4-10-7/h2-4H,1H2,(H,10,11,12)
InChIKeyUUQFYWQXJPCWQT-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.25
Rot. Bonds2

About N-(3-chloropyrazin-2-yl)prop-2-enamide

N-(3-chloropyrazin-2-yl)prop-2-enamide (PubChem CID 102989286) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)prop-2-enamide
PubChem CID102989286
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC NameN-(3-chloropyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C7H6ClN3O/c1-2-5(12)11-7-6(8)9-3-4-10-7/h2-4H,1H2,(H,10,11,12)
InChIKeyUUQFYWQXJPCWQT-UHFFFAOYSA-N
XLogP1.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.25
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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Related Compounds

N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
N-(3-chloropyrazin-2-yl)but-2-ynamide
CID 107996159
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
CID 102989094
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 102989436
N-(3-chloropyrazin-2-yl)pyridazine-4-carboxamide
CID 102989245
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
4-chloro-N-(3-chloropyrazin-2-yl)-1H-pyrrole-2-carboxamide
CID 102989332
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
CID 151290170

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)prop-2-enamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)prop-2-enamide (CID 102989286) is N-(3-chloropyrazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)prop-2-enamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)prop-2-enamide is C=CC(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)prop-2-enamide?
The InChIKey is UUQFYWQXJPCWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-2-5(12)11-7-6(8)9-3-4-10-7/h2-4H,1H2,(H,10,11,12).
What are the key properties of N-(3-chloropyrazin-2-yl)prop-2-enamide?
N-(3-chloropyrazin-2-yl)prop-2-enamide has a molecular weight of 183.60 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)prop-2-enamide is sourced from PubChem (CID 102989286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).