5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one

C23H24FN3O2 — CID 92570085

IUPAC5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O2/c24-21-5-3-18(4-6-21)19-13-20(23(28)26-14-19)15-25-22-7-1-17(2-8-22)16-27-9-11-29-12-10-27/h1-8,13-14,25H,9-12,15-16H2,(H,26,28)
InChIKeyVGYZJBDAMKWQSW-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.63
Rot. Bonds6

About 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one

5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one (PubChem CID 92570085) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one
PubChem CID92570085
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O2/c24-21-5-3-18(4-6-21)19-13-20(23(28)26-14-19)15-25-22-7-1-17(2-8-22)16-27-9-11-29-12-10-27/h1-8,13-14,25H,9-12,15-16H2,(H,26,28)
InChIKeyVGYZJBDAMKWQSW-UHFFFAOYSA-N
XLogP3.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]-5-phenyl-1H-pyridin-2-one
CID 92608687
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CID 11161574
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 110452175
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
1-(4-fluorophenoxy)-N-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531856
4-(morpholin-4-ylmethyl)-N-(pyridin-4-ylmethyl)aniline
CID 961221
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
6-(hydroxymethyl)-4-(2-hydroxyphenyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one
CID 57455500
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111232589
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one (CID 92570085) is 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one is O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one?
The InChIKey is VGYZJBDAMKWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-21-5-3-18(4-6-21)19-13-20(23(28)26-14-19)15-25-22-7-1-17(2-8-22)16-27-9-11-29-12-10-27/h1-8,13-14,25H,9-12,15-16H2,(H,26,28).
What are the key properties of 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one?
5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one has a molecular weight of 393.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[4-(morpholin-4-ylmethyl)anilino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 92570085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).