N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine

C24H24F3N3O3 — CID 71540733

IUPACN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C24H24F3N3O3/c1-31-21-6-3-17(24(25,26)27)14-19(21)16-7-8-28-23(13-16)29-18-4-5-20(22(15-18)32-2)30-9-11-33-12-10-30/h3-8,13-15H,9-12H2,1-2H3,(H,28,29)
InChIKeyYHMCLJVLKPGWEY-UHFFFAOYSA-N
MW459.47 g/mol
LogP5.36
Rot. Bonds6

About N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine

N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 71540733) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID71540733
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C24H24F3N3O3/c1-31-21-6-3-17(24(25,26)27)14-19(21)16-7-8-28-23(13-16)29-18-4-5-20(22(15-18)32-2)30-9-11-33-12-10-30/h3-8,13-15H,9-12H2,1-2H3,(H,28,29)
InChIKeyYHMCLJVLKPGWEY-UHFFFAOYSA-N
XLogP5.36
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine (CID 71540733) is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine is COc1ccc(C(F)(F)F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is YHMCLJVLKPGWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-31-21-6-3-17(24(25,26)27)14-19(21)16-7-8-28-23(13-16)29-18-4-5-20(22(15-18)32-2)30-9-11-33-12-10-30/h3-8,13-15H,9-12H2,1-2H3,(H,28,29).
What are the key properties of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 459.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 71540733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).