N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

C15H16ClFN4O — CID 109273040

IUPACN-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClFN4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-10-3-4-12(17)11(16)5-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQEOJLFLNLKYZOY-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.59
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109273040) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109273040
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H16ClFN4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-10-3-4-12(17)11(16)5-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyQEOJLFLNLKYZOY-UHFFFAOYSA-N
XLogP3.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(3,4-dichlorophenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181373
N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273070
N-(3-chloro-4-fluorophenyl)-5-(5-chloro-2-methylanilino)pyrazine-2-carboxamide
CID 109293026
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320915
N-(3-chloro-4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109293212
5-(2-chloroanilino)-N-(3-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 109292662
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(3,4-dichlorophenyl)-5-(3,4-difluoroanilino)pyrazine-2-carboxamide
CID 109294564

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109273040) is N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is CC(C)CNc1cnc(C(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is QEOJLFLNLKYZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c1-9(2)6-19-14-8-18-13(7-20-14)15(22)21-10-3-4-12(17)11(16)5-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).