N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide

C13H13FN4O — CID 107374291

IUPACN-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C13H13FN4O/c1-8-5-9(14)3-4-10(8)18-13(19)11-6-17-12(15-2)7-16-11/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyQJBHGGCMWDHJIY-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.22
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide

N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107374291) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107374291
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C13H13FN4O/c1-8-5-9(14)3-4-10(8)18-13(19)11-6-17-12(15-2)7-16-11/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyQJBHGGCMWDHJIY-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
N-(2-fluoro-4-nitrophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375271
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
N-(4-fluoro-2-methylphenyl)-5-phenylmethoxypyrazine-2-carboxamide
CID 154863196
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
N-(4-fluoro-2-methoxyphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377845
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107374291) is N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(F)cc2C)cn1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is QJBHGGCMWDHJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-8-5-9(14)3-4-10(8)18-13(19)11-6-17-12(15-2)7-16-11/h3-7H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).