5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine

C12H12ClN3 — CID 104532340

IUPAC5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H12ClN3/c1-14-11-6-12(8-15-7-11)16-10-4-2-3-9(13)5-10/h2-8,14,16H,1H3
InChIKeyYYCJNPPTPLMHFB-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.52
Rot. Bonds3

About 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine

5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104532340) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104532340
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H12ClN3/c1-14-11-6-12(8-15-7-11)16-10-4-2-3-9(13)5-10/h2-8,14,16H,1H3
InChIKeyYYCJNPPTPLMHFB-UHFFFAOYSA-N
XLogP3.52
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-(3-chlorophenyl)-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-methylpyridine-3,5-diamine
CID 113423614
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
5-(3-chloroanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243553
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
5-N-(2-chloro-5-fluorophenyl)-3-N-methylpyridine-3,5-diamine
CID 107531788
5-N-(3-fluoro-2-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104533871
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine (CID 104532340) is 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is YYCJNPPTPLMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-14-11-6-12(8-15-7-11)16-10-4-2-3-9(13)5-10/h2-8,14,16H,1H3.
What are the key properties of 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 233.70 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104532340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).