4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide

C26H28FN3O3 — CID 155511505

IUPAC4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide
SMILESCOc1cccc([C@@H](CCN2CCOCC2)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1
InChIInChI=1S/C26H28FN3O3/c1-32-23-4-2-3-22(17-23)24(10-12-30-13-15-33-16-14-30)29-26(31)20-7-5-19(6-8-20)21-9-11-28-25(27)18-21/h2-9,11,17-18,24H,10,12-16H2,1H3,(H,29,31)/t24-/m1/s1
InChIKeyRURMYELSAFPPJN-XMMPIXPASA-N
MW449.53 g/mol
LogP4.09
Rot. Bonds8

About 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide

4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide (PubChem CID 155511505) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide
PubChem CID155511505
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide
SMILESCOc1cccc([C@@H](CCN2CCOCC2)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1
InChIInChI=1S/C26H28FN3O3/c1-32-23-4-2-3-22(17-23)24(10-12-30-13-15-33-16-14-30)29-26(31)20-7-5-19(6-8-20)21-9-11-28-25(27)18-21/h2-9,11,17-18,24H,10,12-16H2,1H3,(H,29,31)/t24-/m1/s1
InChIKeyRURMYELSAFPPJN-XMMPIXPASA-N
XLogP4.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide (CID 155511505) is 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide is COc1cccc([C@@H](CCN2CCOCC2)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide?
The InChIKey is RURMYELSAFPPJN-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-32-23-4-2-3-22(17-23)24(10-12-30-13-15-33-16-14-30)29-26(31)20-7-5-19(6-8-20)21-9-11-28-25(27)18-21/h2-9,11,17-18,24H,10,12-16H2,1H3,(H,29,31)/t24-/m1/s1.
What are the key properties of 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide?
4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)-3-morpholin-4-ylpropyl]benzamide is sourced from PubChem (CID 155511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).