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

C14H15BrN4O — CID 60875903

IUPAC2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN4O/c15-11-4-5-14(18-7-11)19(9-13(17)20)8-10-2-1-3-12(16)6-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyUJCBWJDILMQGJX-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.92
Rot. Bonds5

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

2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide (PubChem CID 60875903) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
PubChem CID60875903
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN4O/c15-11-4-5-14(18-7-11)19(9-13(17)20)8-10-2-1-3-12(16)6-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyUJCBWJDILMQGJX-UHFFFAOYSA-N
XLogP1.92
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.92
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-[(3-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713137
2-[(3-aminophenyl)methyl-pyrimidin-2-ylamino]acetamide
CID 60874955
2-[(3-aminophenyl)methyl-(5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 114476656
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
CID 75421846
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
2-[(3-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149855
2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 43461218
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide (CID 60875903) is 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide is NC(=O)CN(Cc1cccc(N)c1)c1ccc(Br)cn1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide?
The InChIKey is UJCBWJDILMQGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-11-4-5-14(18-7-11)19(9-13(17)20)8-10-2-1-3-12(16)6-10/h1-7H,8-9,16H2,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide has a molecular weight of 335.21 g/mol, XLogP of 1.92, 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-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 60875903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).