N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide

C16H16Cl3N3O2 — CID 13488358

IUPACN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cnccn1
InChIInChI=1S/C16H16Cl3N3O2/c1-2-5-22(16(23)14-10-20-3-4-21-14)6-7-24-15-12(18)8-11(17)9-13(15)19/h3-4,8-10H,2,5-7H2,1H3
InChIKeyORMWTKRSUQRMLL-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.37
Rot. Bonds7

About N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide

N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 13488358) has the molecular formula C16H16Cl3N3O2 and a molecular weight of 388.68 g/mol. Its IUPAC name is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide
PubChem CID13488358
Molecular FormulaC16H16Cl3N3O2
Molecular Weight388.68 g/mol
Exact Mass387.03
IUPAC NameN-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cnccn1
InChIInChI=1S/C16H16Cl3N3O2/c1-2-5-22(16(23)14-10-20-3-4-21-14)6-7-24-15-12(18)8-11(17)9-13(15)19/h3-4,8-10H,2,5-7H2,1H3
InChIKeyORMWTKRSUQRMLL-UHFFFAOYSA-N
XLogP4.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
CID 70461907
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70468782
2-amino-2-methylpropanoic acid;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 68991935
[3,5-dichloro-2-[2-[imidazole-1-carbonyl(propyl)amino]ethoxy]phenyl]chloranium
CID 163802816
bis(1H-imidazol-2-yl)methanone;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70342778
cyclohexane;ethyl acetate;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70525938
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
3-methyl-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazol-3-ium-1-carboxamide iodide
CID 171379262
acetonitrile;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;2,2,2-trifluoroacetic acid;hydrate
CID 173012930
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide (CID 13488358) is N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide is CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1cnccn1.
What is the InChIKey of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is ORMWTKRSUQRMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N3O2/c1-2-5-22(16(23)14-10-20-3-4-21-14)6-7-24-15-12(18)8-11(17)9-13(15)19/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide?
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 388.68 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 13488358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).