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

C13H13BrN4O — CID 107373971

IUPACN-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C13H13BrN4O/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)
InChIKeySYAHWDURZZFMFM-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.84
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 107373971) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID107373971
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C13H13BrN4O/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)
InChIKeySYAHWDURZZFMFM-UHFFFAOYSA-N
XLogP2.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
N-(2,4-dibromophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107375297
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109287359
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
5-(methylamino)-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107586715
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
N-(4-bromo-2-methylphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide (CID 107373971) is N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2ccc(Br)cc2C)cn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is SYAHWDURZZFMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/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-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide?
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107373971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).