4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine

C16H19Cl2N3 — CID 62705479

IUPAC4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCC(C)C(C)Nc1nccc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H19Cl2N3/c1-9(2)10(3)21-16-15(19)13(6-7-20-16)12-5-4-11(17)8-14(12)18/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyPPHFBULJCYFTBS-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.09
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine

4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine (PubChem CID 62705479) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
PubChem CID62705479
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCC(C)C(C)Nc1nccc(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H19Cl2N3/c1-9(2)10(3)21-16-15(19)13(6-7-20-16)12-5-4-11(17)8-14(12)18/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyPPHFBULJCYFTBS-UHFFFAOYSA-N
XLogP5.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine (CID 62705479) is 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine is CC(C)C(C)Nc1nccc(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
The InChIKey is PPHFBULJCYFTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-9(2)10(3)21-16-15(19)13(6-7-20-16)12-5-4-11(17)8-14(12)18/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine?
4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine has a molecular weight of 324.26 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 62705479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).