5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

C18H15BrN4O — CID 109289890

IUPAC5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-14(8-12)23-18(24)16-10-21-17(11-20-16)22-15-7-3-5-13(19)9-15/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyQPDBTWOXFVZMHP-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide

5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109289890) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID109289890
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-2-6-14(8-12)23-18(24)16-10-21-17(11-20-16)22-15-7-3-5-13(19)9-15/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyQPDBTWOXFVZMHP-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-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
5-(3-bromoanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291389
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
5-(2-chloroanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289847
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158
N-(2-ethyl-6-methylphenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109289933
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide (CID 109289890) is 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3cccc(Br)c3)cn2)c1.
What is the InChIKey of 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is QPDBTWOXFVZMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-4-2-6-14(8-12)23-18(24)16-10-21-17(11-20-16)22-15-7-3-5-13(19)9-15/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide?
5-(3-bromoanilino)-N-(3-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-(3-bromoanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).