N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

C21H20F2N4O — CID 123961804

IUPACN-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1cc(C)c(N(C)C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H20F2N4O/c1-12-8-13(2)18(27(3)4)9-14(12)17-10-25-19(11-24-17)26-21(28)20-15(22)6-5-7-16(20)23/h5-11H,1-4H3,(H,25,26,28)
InChIKeyJPCZUGRGASDBPV-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.36
Rot. Bonds4

About N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide

N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 123961804) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID123961804
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCc1cc(C)c(N(C)C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C21H20F2N4O/c1-12-8-13(2)18(27(3)4)9-14(12)17-10-25-19(11-24-17)26-21(28)20-15(22)6-5-7-16(20)23/h5-11H,1-4H3,(H,25,26,28)
InChIKeyJPCZUGRGASDBPV-UHFFFAOYSA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
2,6-difluoro-N-[5-[5-(4-hydroxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]benzamide
CID 118473086
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 11589845
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
CID 25177442
N-[5-[5-(4-acetyl-5,5-dimethyl-1,3,4-oxadiazol-2-yl)-2-methylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 67517427
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 162060237
2-fluoro-N-[5-[5-(N-hydrazinylidenecarbamimidoyl)-2-methylphenyl]pyrazin-2-yl]-6-methylbenzamide
CID 70320043
2-chloro-N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methylphenyl]pyrazin-2-yl]-6-fluorobenzamide
CID 67515178

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 123961804) is N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is Cc1cc(C)c(N(C)C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is JPCZUGRGASDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-12-8-13(2)18(27(3)4)9-14(12)17-10-25-19(11-24-17)26-21(28)20-15(22)6-5-7-16(20)23/h5-11H,1-4H3,(H,25,26,28).
What are the key properties of N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide has a molecular weight of 382.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 123961804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).