4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine

C23H24FN3O3 — CID 71540732

IUPAC4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C23H24FN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26)
InChIKeyRFZDGPIOKDAECB-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.49
Rot. Bonds6

About 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine

4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 71540732) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID71540732
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCOc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C23H24FN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26)
InChIKeyRFZDGPIOKDAECB-UHFFFAOYSA-N
XLogP4.49
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.49
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 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine (CID 71540732) is 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine is COc1ccc(F)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is RFZDGPIOKDAECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-28-21-6-3-17(24)14-19(21)16-7-8-25-23(13-16)26-18-4-5-20(22(15-18)29-2)27-9-11-30-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,26).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 409.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 71540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).