6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide

C22H19F4N3O2 — CID 155287010

IUPAC6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)cc3)cnc2C)c1
InChIInChI=1S/C22H19F4N3O2/c1-3-22(25,26)15-5-4-6-16(11-15)28-20(30)19-13(2)27-12-18(29-19)14-7-9-17(10-8-14)31-21(23)24/h4-12,21H,3H2,1-2H3,(H,28,30)
InChIKeyNKNZAZVGBSTAHQ-UHFFFAOYSA-N
MW433.41 g/mol
LogP5.81
Rot. Bonds7

About 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide

6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide (PubChem CID 155287010) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
PubChem CID155287010
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
SMILESCCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)cc3)cnc2C)c1
InChIInChI=1S/C22H19F4N3O2/c1-3-22(25,26)15-5-4-6-16(11-15)28-20(30)19-13(2)27-12-18(29-19)14-7-9-17(10-8-14)31-21(23)24/h4-12,21H,3H2,1-2H3,(H,28,30)
InChIKeyNKNZAZVGBSTAHQ-UHFFFAOYSA-N
XLogP5.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(difluoromethoxy)-6-phenyl-2-pyridinyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 155311333
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16654274
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
(3Z)-3-[[4-(difluoromethoxy)phenyl]-formylhydrazinylidene]-N-[3-(1,1-difluoropropyl)phenyl]-2-methylbutanamide
CID 155311365
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 155287045
N-[3-(1,1-difluoroethyl)phenyl]-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 139443020
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethylcyclohexyl)-4-methoxyphenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175376714
N-[3-(1,1-difluoropropyl)phenyl]-2-[4-methoxy-3-(3-methyl-2-pyridinyl)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 175202525
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 47222176
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-5-methyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 166844685

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide (CID 155287010) is 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide is CCC(F)(F)c1cccc(NC(=O)c2nc(-c3ccc(OC(F)F)cc3)cnc2C)c1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The InChIKey is NKNZAZVGBSTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c1-3-22(25,26)15-5-4-6-16(11-15)28-20(30)19-13(2)27-12-18(29-19)14-7-9-17(10-8-14)31-21(23)24/h4-12,21H,3H2,1-2H3,(H,28,30).
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide?
6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 155287010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).