N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C19H19FN4O3 — CID 50812799

IUPACN-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3C)c(=O)n(C)c2n1
InChIInChI=1S/C19H19FN4O3/c1-10-8-13(20)5-6-14(10)22-15(25)9-24-18(26)16-11(2)7-12(3)21-17(16)23(4)19(24)27/h5-8H,9H2,1-4H3,(H,22,25)
InChIKeyDIROTTKASSKJHI-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.80
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 50812799) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID50812799
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3C)c(=O)n(C)c2n1
InChIInChI=1S/C19H19FN4O3/c1-10-8-13(20)5-6-14(10)22-15(25)9-24-18(26)16-11(2)7-12(3)21-17(16)23(4)19(24)27/h5-8H,9H2,1-4H3,(H,22,25)
InChIKeyDIROTTKASSKJHI-UHFFFAOYSA-N
XLogP1.80
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 25238568
ethyl 3-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238552
N-(2,4-difluorophenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250614
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 26696603
ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238783
N-(4-bromo-2-fluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17251346
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
N-(2-chloro-4-fluorophenyl)-2-[1-methyl-2,4-dioxo-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 38665433
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 50812799) is N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3C)c(=O)n(C)c2n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is DIROTTKASSKJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-10-8-13(20)5-6-14(10)22-15(25)9-24-18(26)16-11(2)7-12(3)21-17(16)23(4)19(24)27/h5-8H,9H2,1-4H3,(H,22,25).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 370.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 50812799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).