2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide

C34H28FN3O5 — CID 11548737

IUPAC2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide
SMILESCOc1ccc(-n2c(NCC(=O)Nc3cccc(-c4ccccc4)c3)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C34H28FN3O5/c1-42-27-15-17-29(30(20-27)43-2)38-32(40)18-16-28(33(41)23-11-13-25(35)14-12-23)34(38)36-21-31(39)37-26-10-6-9-24(19-26)22-7-4-3-5-8-22/h3-20,36H,21H2,1-2H3,(H,37,39)
InChIKeyXFGIEAQQYSFESG-UHFFFAOYSA-N
MW577.61 g/mol
LogP5.94
Rot. Bonds10

About 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide

2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide (PubChem CID 11548737) has the molecular formula C34H28FN3O5 and a molecular weight of 577.61 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide
PubChem CID11548737
Molecular FormulaC34H28FN3O5
Molecular Weight577.61 g/mol
Exact Mass577.20
IUPAC Name2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide
SMILESCOc1ccc(-n2c(NCC(=O)Nc3cccc(-c4ccccc4)c3)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C34H28FN3O5/c1-42-27-15-17-29(30(20-27)43-2)38-32(40)18-16-28(33(41)23-11-13-25(35)14-12-23)34(38)36-21-31(39)37-26-10-6-9-24(19-26)22-7-4-3-5-8-22/h3-20,36H,21H2,1-2H3,(H,37,39)
InChIKeyXFGIEAQQYSFESG-UHFFFAOYSA-N
XLogP5.94
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N~1~-(2,4-dimethoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
CID 3240426
N-{[(2,4-Dimethoxyphenyl)carbamoyl]methyl}-2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-YL)acetamide
CID 4571281
N-(2,4-Dimethoxy-phenyl)-2-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-acetamide
CID 24762137
N-(2,4-dimethoxyphenyl)-N-[2-[1-(dimethylamino)propan-2-ylamino]-1-(2-fluorophenyl)-2-oxoethyl]benzamide
CID 44590340
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
CID 44590341
N-(2,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 44590445
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 134129954
N-(5-(123I)iodo-2,4-dimethoxyphenyl)-2-[3-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 168286887
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-fluorophenyl)benzamide
CID 45484325
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
N-(2,4-dimethoxyphenyl)-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15987891
2-(3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-phenethylacetamide
CID 15988258

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide?
The IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide (CID 11548737) is 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide?
The canonical SMILES for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide is COc1ccc(-n2c(NCC(=O)Nc3cccc(-c4ccccc4)c3)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1.
What is the InChIKey of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide?
The InChIKey is XFGIEAQQYSFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN3O5/c1-42-27-15-17-29(30(20-27)43-2)38-32(40)18-16-28(33(41)23-11-13-25(35)14-12-23)34(38)36-21-31(39)37-26-10-6-9-24(19-26)22-7-4-3-5-8-22/h3-20,36H,21H2,1-2H3,(H,37,39).
What are the key properties of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide?
2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide has a molecular weight of 577.61 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]-N-(3-phenylphenyl)acetamide is sourced from PubChem (CID 11548737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).