3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H11Br2N3O — CID 114023576

IUPAC3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H11Br2N3O/c1-8-5-17-12(6-16-8)7-18-13(19)9-2-10(14)4-11(15)3-9/h2-6H,7H2,1H3,(H,18,19)
InChIKeyWVCONXLIELIPEQ-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.24
Rot. Bonds3

About 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 114023576) has the molecular formula C13H11Br2N3O and a molecular weight of 385.06 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID114023576
Molecular FormulaC13H11Br2N3O
Molecular Weight385.06 g/mol
Exact Mass382.93
IUPAC Name3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(Br)cc(Br)c2)cn1
InChIInChI=1S/C13H11Br2N3O/c1-8-5-17-12(6-16-8)7-18-13(19)9-2-10(14)4-11(15)3-9/h2-6H,7H2,1H3,(H,18,19)
InChIKeyWVCONXLIELIPEQ-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
2-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240929
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
2-hydrazinyl-6-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-carboxamide
CID 113379230
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62846960
5-chloro-6-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62840708
(5-methylpyrazin-2-yl)methylurea
CID 62845946
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 114023576) is 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(Br)cc(Br)c2)cn1.
What is the InChIKey of 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is WVCONXLIELIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O/c1-8-5-17-12(6-16-8)7-18-13(19)9-2-10(14)4-11(15)3-9/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 385.06 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 114023576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).