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

C18H15Cl2N3O — CID 11405713

IUPAC4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15Cl2N3O/c1-24-16-7-4-13(20)10-15(16)11-8-17(21)23-18(9-11)22-14-5-2-12(19)3-6-14/h2-10H,1H3,(H3,21,22,23)
InChIKeyBRQGSKIIBQXZSA-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.39
Rot. Bonds4

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

4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine (PubChem CID 11405713) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
PubChem CID11405713
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15Cl2N3O/c1-24-16-7-4-13(20)10-15(16)11-8-17(21)23-18(9-11)22-14-5-2-12(19)3-6-14/h2-10H,1H3,(H3,21,22,23)
InChIKeyBRQGSKIIBQXZSA-UHFFFAOYSA-N
XLogP5.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.39
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-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine (CID 11405713) is 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine is COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
The InChIKey is BRQGSKIIBQXZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-24-16-7-4-13(20)10-15(16)11-8-17(21)23-18(9-11)22-14-5-2-12(19)3-6-14/h2-10H,1H3,(H3,21,22,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine?
4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine has a molecular weight of 360.24 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-6-N-(4-chlorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 11405713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).