5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

C19H17BrN4O — CID 109280063

IUPAC5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C19H17BrN4O/c1-13-6-2-3-7-14(13)10-23-19(25)17-11-22-18(12-21-17)24-16-9-5-4-8-15(16)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeySCUUTGYWTHDKEX-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.22
Rot. Bonds5

About 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide

5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280063) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280063
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C19H17BrN4O/c1-13-6-2-3-7-14(13)10-23-19(25)17-11-22-18(12-21-17)24-16-9-5-4-8-15(16)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeySCUUTGYWTHDKEX-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
5-(2-bromoanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289697
N-[(2-fluorophenyl)methyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109281332
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
N-benzyl-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109279707
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
5-(2-bromoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290079
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280063) is 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is SCUUTGYWTHDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-6-2-3-7-14(13)10-23-19(25)17-11-22-18(12-21-17)24-16-9-5-4-8-15(16)20/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(2-bromoanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.22, 5 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)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).