4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide

C26H26F3N3O4 — CID 90460888

IUPAC4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O4/c1-16-4-6-19(30-24(33)17-5-7-23(35-3)21(12-17)26(27,28)29)14-20(16)18-13-22(25(34)31(2)15-18)32-8-10-36-11-9-32/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)
InChIKeyBGCVKYSWJAYBBI-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.48
Rot. Bonds5

About 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide

4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90460888) has the molecular formula C26H26F3N3O4 and a molecular weight of 501.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90460888
Molecular FormulaC26H26F3N3O4
Molecular Weight501.51 g/mol
Exact Mass501.19
IUPAC Name4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C26H26F3N3O4/c1-16-4-6-19(30-24(33)17-5-7-23(35-3)21(12-17)26(27,28)29)14-20(16)18-13-22(25(34)31(2)15-18)32-8-10-36-11-9-32/h4-7,12-15H,8-11H2,1-3H3,(H,30,33)
InChIKeyBGCVKYSWJAYBBI-UHFFFAOYSA-N
XLogP4.48
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-[3,3-Bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone
CID 134812726
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CID 1617297
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9169702
2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16291464
N-(3,4-dimethylphenyl)-1-(4-methoxybenzoyl)-3-piperidinamine
CID 24790277
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(2-ethoxyphenyl)piperazine
CID 455378
4-butoxy-N-{3,5-dimethyl-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}benzamide
CID 3853330
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(trifluoromethyl)benzamide
CID 9907077
3-[3-(dimethylamino)propyl]-N-[4-(4-formyl-2-methylphenyl)phenyl]-4-methoxybenzamide
CID 10094227
N-[3-(4-Dimethylaminomethyl-phenylcarbamoyl)-benzyl]-4-methoxy-3-trifluoromethyl-benzamide
CID 25054309
N-(3-tert-butylphenyl)-2-(4-(2-morpholinoethoxy)naphthalen-1-yl)-2-oxoacetamide
CID 49862707

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 90460888) is 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BGCVKYSWJAYBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4/c1-16-4-6-19(30-24(33)17-5-7-23(35-3)21(12-17)26(27,28)29)14-20(16)18-13-22(25(34)31(2)15-18)32-8-10-36-11-9-32/h4-7,12-15H,8-11H2,1-3H3,(H,30,33).
What are the key properties of 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 501.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90460888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).