5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C13H13BrN4O — CID 62846960

IUPAC5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccc2Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(15)2-3-12(11)14/h2-6H,7,15H2,1H3,(H,18,19)
InChIKeyMCJCTDZCFWOJDH-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide

5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 62846960) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID62846960
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCc1cnc(CNC(=O)c2cc(N)ccc2Br)cn1
InChIInChI=1S/C13H13BrN4O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(15)2-3-12(11)14/h2-6H,7,15H2,1H3,(H,18,19)
InChIKeyMCJCTDZCFWOJDH-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
2-bromo-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114559614
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 55121841
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 62846960) is 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is Cc1cnc(CNC(=O)c2cc(N)ccc2Br)cn1.
What is the InChIKey of 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is MCJCTDZCFWOJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-5-17-10(6-16-8)7-18-13(19)11-4-9(15)2-3-12(11)14/h2-6H,7,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 321.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 62846960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).