5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine

C12H11Cl2N3 — CID 113423614

IUPAC5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H11Cl2N3/c1-15-9-4-10(7-16-6-9)17-8-2-3-11(13)12(14)5-8/h2-7,15,17H,1H3
InChIKeyKTDQIMDPRMDCGM-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.17
Rot. Bonds3

About 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine

5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 113423614) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID113423614
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H11Cl2N3/c1-15-9-4-10(7-16-6-9)17-8-2-3-11(13)12(14)5-8/h2-7,15,17H,1H3
InChIKeyKTDQIMDPRMDCGM-UHFFFAOYSA-N
XLogP4.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine 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

5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
3-N-(3,4-dichlorophenyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80768908
5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
CID 104534939
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine (CID 113423614) is 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is KTDQIMDPRMDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-15-9-4-10(7-16-6-9)17-8-2-3-11(13)12(14)5-8/h2-7,15,17H,1H3.
What are the key properties of 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 268.15 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 113423614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).