5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

C19H17BrN4O — CID 109291389

IUPAC5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-5-3-8-16(13(12)2)24-19(25)17-10-22-18(11-21-17)23-15-7-4-6-14(20)9-15/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyCSZSWXLFSICEKK-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide

5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109291389) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109291389
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-5-3-8-16(13(12)2)24-19(25)17-10-22-18(11-21-17)23-15-7-4-6-14(20)9-15/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyCSZSWXLFSICEKK-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109291387
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118
5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289890
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
N-(2-chlorophenyl)-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109291413
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-(2,3-dimethylanilino)-N-(2-ethylphenyl)pyrazine-2-carboxamide
CID 109291406
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291396

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 109291389) is 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1C.
What is the InChIKey of 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is CSZSWXLFSICEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-5-3-8-16(13(12)2)24-19(25)17-10-22-18(11-21-17)23-15-7-4-6-14(20)9-15/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide?
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109291389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).