N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide

C13H10Cl3N3O — CID 118126600

IUPACN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C13H10Cl3N3O/c1-6(20)18-11-3-2-8(13(17)19-11)9-4-7(14)5-10(15)12(9)16/h2-5H,1H3,(H3,17,18,19,20)
InChIKeyWFMLWHWVTGVADY-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.25
Rot. Bonds2

About N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide

N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide (PubChem CID 118126600) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
PubChem CID118126600
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC NameN-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1
InChIInChI=1S/C13H10Cl3N3O/c1-6(20)18-11-3-2-8(13(17)19-11)9-4-7(14)5-10(15)12(9)16/h2-5H,1H3,(H3,17,18,19,20)
InChIKeyWFMLWHWVTGVADY-UHFFFAOYSA-N
XLogP4.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.25
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

(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethylpyridin-2-yl)prop-2-enamide
CID 868317
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)acrylamide
CID 2168596
2-cyano-N-[6-(3,4-dichlorophenyl)-2-pyridinyl]acetamide
CID 155548991
N-[4-(2,3-dichlorophenyl)-6-(methylamino)pyrimidin-2-yl]acetamide
CID 155549792
(E)-3-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 897027
[6-Chloro-5-(4-fluorophenyl)-2-pyridinyl]urea
CID 54319105
N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide
CID 118693275
5-(2,3-Dichlorophenyl)-6-fluoropyridin-2-amine
CID 139370040
2-(2-chlorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841919
3-(2-chloro-6-fluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 897026
N-[5-(2-chloro-4-fluorophenyl)pyridin-2-yl]acetamide
CID 56723511
(E)-N-(6-chloro-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 84420498

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide (CID 118126600) is N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide?
The InChIKey is WFMLWHWVTGVADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-6(20)18-11-3-2-8(13(17)19-11)9-4-7(14)5-10(15)12(9)16/h2-5H,1H3,(H3,17,18,19,20).
What are the key properties of N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide?
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide has a molecular weight of 330.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118126600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).