N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide

C17H20FN3O — CID 84590828

IUPACN-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-12-9-20-15(10-19-12)16(22)21(11-17(2,3)4)14-7-5-13(18)6-8-14/h5-10H,11H2,1-4H3
InChIKeyQVZUZHGDLBNDSJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.62
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide

N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide (PubChem CID 84590828) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
PubChem CID84590828
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CC(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H20FN3O/c1-12-9-20-15(10-19-12)16(22)21(11-17(2,3)4)14-7-5-13(18)6-8-14/h5-10H,11H2,1-4H3
InChIKeyQVZUZHGDLBNDSJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-N-phenylpyrazine-2-carboxamide
CID 22570095
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
2-(2-bromo-5-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105090063
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051
N-(2-aminoethyl)-N,5-dimethylpyrazine-2-carboxamide
CID 62686428

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide (CID 84590828) is N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CC(C)(C)C)c2ccc(F)cc2)cn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is QVZUZHGDLBNDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-9-20-15(10-19-12)16(22)21(11-17(2,3)4)14-7-5-13(18)6-8-14/h5-10H,11H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide?
N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 84590828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).