N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide

C19H17BrN4O — CID 109281131

IUPACN-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C19H17BrN4O/c1-24(13-14-7-3-2-4-8-14)19(25)17-11-22-18(12-21-17)23-16-10-6-5-9-15(16)20/h2-12H,13H2,1H3,(H,22,23)
InChIKeyDVLVQZLRCPXUDO-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.25
Rot. Bonds5

About N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide

N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide (PubChem CID 109281131) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
PubChem CID109281131
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Br)cn1
InChIInChI=1S/C19H17BrN4O/c1-24(13-14-7-3-2-4-8-14)19(25)17-11-22-18(12-21-17)23-16-10-6-5-9-15(16)20/h2-12H,13H2,1H3,(H,22,23)
InChIKeyDVLVQZLRCPXUDO-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107377870
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide (CID 109281131) is N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Br)cn1.
What is the InChIKey of N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide?
The InChIKey is DVLVQZLRCPXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-24(13-14-7-3-2-4-8-14)19(25)17-11-22-18(12-21-17)23-16-10-6-5-9-15(16)20/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide?
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109281131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).