4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine

C20H20ClN3O — CID 11337163

IUPAC4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H20ClN3O/c1-3-25-18-9-6-15(21)12-17(18)14-10-19(22)24-20(11-14)23-16-7-4-13(2)5-8-16/h4-12H,3H2,1-2H3,(H3,22,23,24)
InChIKeyXICKMYUDFYBMMA-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.43
Rot. Bonds5

About 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine

4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine (PubChem CID 11337163) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine
PubChem CID11337163
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H20ClN3O/c1-3-25-18-9-6-15(21)12-17(18)14-10-19(22)24-20(11-14)23-16-7-4-13(2)5-8-16/h4-12H,3H2,1-2H3,(H3,22,23,24)
InChIKeyXICKMYUDFYBMMA-UHFFFAOYSA-N
XLogP5.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine (CID 11337163) is 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine is CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1.
What is the InChIKey of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine?
The InChIKey is XICKMYUDFYBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-3-25-18-9-6-15(21)12-17(18)14-10-19(22)24-20(11-14)23-16-7-4-13(2)5-8-16/h4-12H,3H2,1-2H3,(H3,22,23,24).
What are the key properties of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine?
4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine has a molecular weight of 353.85 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 11337163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).