[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

C15H15Cl3N3O+ — CID 8678630

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccnc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N3O/c1-21(8-10-4-2-5-11(16)14(10)17)9-13(22)20-12-6-3-7-19-15(12)18/h2-7H,8-9H2,1H3,(H,20,22)/p+1
InChIKeyWKVXBHNRKPHIGI-UHFFFAOYSA-O
MW359.66 g/mol
LogP2.70
Rot. Bonds5

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (PubChem CID 8678630) has the molecular formula C15H15Cl3N3O+ and a molecular weight of 359.66 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
PubChem CID8678630
Molecular FormulaC15H15Cl3N3O+
Molecular Weight359.66 g/mol
Exact Mass358.03
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccnc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N3O/c1-21(8-10-4-2-5-11(16)14(10)17)9-13(22)20-12-6-3-7-19-15(12)18/h2-7H,8-9H2,1H3,(H,20,22)/p+1
InChIKeyWKVXBHNRKPHIGI-UHFFFAOYSA-O
XLogP2.70
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559526
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 8709121
(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 9039683
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8710007
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
[2-(4-cyanoanilino)-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2698653
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium
CID 9436771
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium (CID 8678630) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1cccnc1Cl)Cc1cccc(Cl)c1Cl.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
The InChIKey is WKVXBHNRKPHIGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14Cl3N3O/c1-21(8-10-4-2-5-11(16)14(10)17)9-13(22)20-12-6-3-7-19-15(12)18/h2-7H,8-9H2,1H3,(H,20,22)/p+1.
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium has a molecular weight of 359.66 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8678630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).