2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C14H14BrN3O — CID 79721449

IUPAC2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C14H14BrN3O/c1-9-2-3-10(7-17-9)8-18-14(19)12-5-4-11(15)6-13(12)16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyCYUWQFWNUBEUOF-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide

2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 79721449) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID79721449
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Br)cc2N)cn1
InChIInChI=1S/C14H14BrN3O/c1-9-2-3-10(7-17-9)8-18-14(19)12-5-4-11(15)6-13(12)16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyCYUWQFWNUBEUOF-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
2-amino-4-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79722571
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
2-amino-4-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 79719718
4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 79721449) is 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Br)cc2N)cn1.
What is the InChIKey of 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is CYUWQFWNUBEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-2-3-10(7-17-9)8-18-14(19)12-5-4-11(15)6-13(12)16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 79721449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).