5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

C18H15BrN4O — CID 109289697

IUPAC5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C18H15BrN4O/c1-12-6-2-4-8-14(12)23-18(24)16-10-21-17(11-20-16)22-15-9-5-3-7-13(15)19/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyKPFMJQAVJSPCEU-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide

5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289697) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289697
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C18H15BrN4O/c1-12-6-2-4-8-14(12)23-18(24)16-10-21-17(11-20-16)22-15-9-5-3-7-13(15)19/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyKPFMJQAVJSPCEU-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
N-(2-bromo-4-methylphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289795
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280063
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide (CID 109289697) is 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is Cc1ccccc1NC(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is KPFMJQAVJSPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-6-2-4-8-14(12)23-18(24)16-10-21-17(11-20-16)22-15-9-5-3-7-13(15)19/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).