N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide

C24H24FN3O2 — CID 11545920

IUPACN-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
InChIKeyCMKKPJNMYLOUCE-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.58
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide

N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide (PubChem CID 11545920) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
PubChem CID11545920
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1
InChIInChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
InChIKeyCMKKPJNMYLOUCE-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide (CID 11545920) is N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(N3CCOCC3)cc2)cn1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The InChIKey is CMKKPJNMYLOUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide has a molecular weight of 405.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 11545920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).