methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate

C22H19FN2O4 — CID 175641008

IUPACmethyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C22H19FN2O4/c1-14-11-12-25(18-9-5-16(23)6-10-18)22(28)20(14)21(27)24-17-7-3-15(4-8-17)13-19(26)29-2/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyYSAIDBNSHDGTLF-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.25
Rot. Bonds5

About methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate

methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate (PubChem CID 175641008) has the molecular formula C22H19FN2O4 and a molecular weight of 394.40 g/mol. Its IUPAC name is methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
PubChem CID175641008
Molecular FormulaC22H19FN2O4
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Namemethyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C22H19FN2O4/c1-14-11-12-25(18-9-5-16(23)6-10-18)22(28)20(14)21(27)24-17-7-3-15(4-8-17)13-19(26)29-2/h3-12H,13H2,1-2H3,(H,24,27)
InChIKeyYSAIDBNSHDGTLF-UHFFFAOYSA-N
XLogP3.25
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate with MolForge

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Related Compounds

N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172663121
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660881
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(6-oxo-1H-pyridin-2-yl)pyridine-3-carboxamide
CID 175644006
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534
1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
CID 172662132
methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
CID 172656543
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 172672823
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxamide
CID 172673401
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085
methyl 2-[[2-[4-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555908
1-(4-fluorophenyl)-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172672595
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate (CID 175641008) is methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate?
The InChIKey is YSAIDBNSHDGTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4/c1-14-11-12-25(18-9-5-16(23)6-10-18)22(28)20(14)21(27)24-17-7-3-15(4-8-17)13-19(26)29-2/h3-12H,13H2,1-2H3,(H,24,27).
What are the key properties of methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate?
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate has a molecular weight of 394.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 175641008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).