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

C14H14BrN3O — CID 114700251

IUPAC4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-7-17-5-4-11(9)8-18-14(19)10-2-3-13(16)12(15)6-10/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyIAFKXPPUHQJYEO-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.66
Rot. Bonds3

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

4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114700251) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114700251
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C14H14BrN3O/c1-9-7-17-5-4-11(9)8-18-14(19)10-2-3-13(16)12(15)6-10/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyIAFKXPPUHQJYEO-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

3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
3-carbamothioyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700470
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
4-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 110476152

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114700251) is 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is IAFKXPPUHQJYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-7-17-5-4-11(9)8-18-14(19)10-2-3-13(16)12(15)6-10/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
4-amino-3-bromo-N-[(3-methyl-4-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 4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114700251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).