2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide

C13H10Cl3N3O — CID 107337386

IUPAC2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C13H10Cl3N3O/c14-9-4-11(16)12(5-10(9)15)19-13(20)3-8-2-1-7(17)6-18-8/h1-2,4-6H,3,17H2,(H,19,20)
InChIKeyWTZDRWQCRBJQFJ-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.81
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide

2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 107337386) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID107337386
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc1
InChIInChI=1S/C13H10Cl3N3O/c14-9-4-11(16)12(5-10(9)15)19-13(20)3-8-2-1-7(17)6-18-8/h1-2,4-6H,3,17H2,(H,19,20)
InChIKeyWTZDRWQCRBJQFJ-UHFFFAOYSA-N
XLogP3.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(2-chlorophenyl)acetamide
CID 107337448
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-cyanophenyl)acetamide
CID 107339269
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541
2-(5-amino-2-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 107339031
2-(5-amino-2-pyridinyl)-N-(2-chloro-4-nitrophenyl)acetamide
CID 107337756
2-(5-amino-2-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 107338919
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
CID 107338676
2-(5-amino-2-pyridinyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 107337820

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide (CID 107337386) is 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide is Nc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is WTZDRWQCRBJQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-9-4-11(16)12(5-10(9)15)19-13(20)3-8-2-1-7(17)6-18-8/h1-2,4-6H,3,17H2,(H,19,20).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 330.60 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 107337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).