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

C19H17Cl2N3O — CID 11326288

IUPAC4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17Cl2N3O/c1-2-25-17-8-5-14(21)11-16(17)12-9-18(22)24-19(10-12)23-15-6-3-13(20)4-7-15/h3-11H,2H2,1H3,(H3,22,23,24)
InChIKeyRUEHADWKPASNKW-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.78
Rot. Bonds5

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

4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine (PubChem CID 11326288) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
PubChem CID11326288
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17Cl2N3O/c1-2-25-17-8-5-14(21)11-16(17)12-9-18(22)24-19(10-12)23-15-6-3-13(20)4-7-15/h3-11H,2H2,1H3,(H3,22,23,24)
InChIKeyRUEHADWKPASNKW-UHFFFAOYSA-N
XLogP5.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.78
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-chlorophenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine (CID 11326288) is 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine is CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
The InChIKey is RUEHADWKPASNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-2-25-17-8-5-14(21)11-16(17)12-9-18(22)24-19(10-12)23-15-6-3-13(20)4-7-15/h3-11H,2H2,1H3,(H3,22,23,24).
What are the key properties of 4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
4-(5-chloro-2-ethoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine has a molecular weight of 374.27 g/mol, XLogP of 5.78, 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-chlorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 11326288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).