3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine

C24H25Cl2N3O3 — CID 10254297

IUPAC3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H25Cl2N3O3/c25-21-2-1-3-22(26)20(21)16-32-23-14-18(15-28-24(23)27)17-4-6-19(7-5-17)31-13-10-29-8-11-30-12-9-29/h1-7,14-15H,8-13,16H2,(H2,27,28)
InChIKeySWSODYAMDICARQ-UHFFFAOYSA-N
MW474.39 g/mol
LogP4.93
Rot. Bonds8

About 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine

3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine (PubChem CID 10254297) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
PubChem CID10254297
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H25Cl2N3O3/c25-21-2-1-3-22(26)20(21)16-32-23-14-18(15-28-24(23)27)17-4-6-19(7-5-17)31-13-10-29-8-11-30-12-9-29/h1-7,14-15H,8-13,16H2,(H2,27,28)
InChIKeySWSODYAMDICARQ-UHFFFAOYSA-N
XLogP4.93
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine (CID 10254297) is 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The InChIKey is SWSODYAMDICARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c25-21-2-1-3-22(26)20(21)16-32-23-14-18(15-28-24(23)27)17-4-6-19(7-5-17)31-13-10-29-8-11-30-12-9-29/h1-7,14-15H,8-13,16H2,(H2,27,28).
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine has a molecular weight of 474.39 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 10254297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).