2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide

C15H17BrN4O — CID 79713137

IUPAC2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)cnc1N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C15H17BrN4O/c1-10-5-12(16)7-19-15(10)20(9-14(18)21)8-11-3-2-4-13(17)6-11/h2-7H,8-9,17H2,1H3,(H2,18,21)
InChIKeyDNVDMVJYOISBJP-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.23
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide

2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide (PubChem CID 79713137) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
PubChem CID79713137
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
SMILESCc1cc(Br)cnc1N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C15H17BrN4O/c1-10-5-12(16)7-19-15(10)20(9-14(18)21)8-11-3-2-4-13(17)6-11/h2-7H,8-9,17H2,1H3,(H2,18,21)
InChIKeyDNVDMVJYOISBJP-UHFFFAOYSA-N
XLogP2.23
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.23
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

N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732
2-[(2-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713139
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 114476656
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(3-aminophenyl)methyl-methylsulfonylamino]acetamide
CID 43461206
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
N-[(3-aminophenyl)methyl]-5-bromo-4-methyl-N-propylpyridin-2-amine
CID 114869643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide (CID 79713137) is 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide is Cc1cc(Br)cnc1N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide?
The InChIKey is DNVDMVJYOISBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-5-12(16)7-19-15(10)20(9-14(18)21)8-11-3-2-4-13(17)6-11/h2-7H,8-9,17H2,1H3,(H2,18,21).
What are the key properties of 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 79713137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).