2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline

C25H27Cl2N3 — CID 166816636

IUPAC2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C(C)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C25H27Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13,18,28H,1-6H3/b29-19+
InChIKeyLHBWWPVMJMNPCF-VUTHCHCSSA-N
MW440.42 g/mol
LogP7.94
Rot. Bonds5

About 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline

2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline (PubChem CID 166816636) has the molecular formula C25H27Cl2N3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline
PubChem CID166816636
Molecular FormulaC25H27Cl2N3
Molecular Weight440.42 g/mol
Exact Mass439.16
IUPAC Name2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C(C)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C25H27Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13,18,28H,1-6H3/b29-19+
InChIKeyLHBWWPVMJMNPCF-VUTHCHCSSA-N
XLogP7.94
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline 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

4-tert-butyl-N-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethyl]aniline
CID 20614287
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloroiron
CID 157029122
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;dichloroiron
CID 163240919
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;iron(2+);bis(methanidyl(trimethyl)-λ4-sulfane)
CID 157029121
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
carbanide;cobalt(2+);1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 59100370
N-methyl-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
CID 118102441
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine
CID 89343405
1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone
CID 171061916
N-(2-chloro-6-methylphenyl)-1-[6-[1-[2,6-di(propan-2-yl)phenyl]ethyl]-2-pyridinyl]ethanimine;dichloroiron
CID 175343574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline?
The IUPAC name of 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline (CID 166816636) is 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline?
The canonical SMILES for 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline is C/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C(C)Nc2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline?
The InChIKey is LHBWWPVMJMNPCF-VUTHCHCSSA-N. The full InChI is InChI=1S/C25H27Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13,18,28H,1-6H3/b29-19+.
What are the key properties of 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline?
2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline has a molecular weight of 440.42 g/mol, XLogP of 7.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline is sourced from PubChem (CID 166816636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).