N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

C21H23FN4O3 — CID 20864146

IUPACN-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C21H23FN4O3/c1-11-6-7-14(10-16(11)22)24-17(27)9-8-15-12(2)18-19(23-13(15)3)25(4)21(29)26(5)20(18)28/h6-7,10H,8-9H2,1-5H3,(H,24,27)
InChIKeyNKTIJAQLNMWMTJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.27
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide

N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (PubChem CID 20864146) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
PubChem CID20864146
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C21H23FN4O3/c1-11-6-7-14(10-16(11)22)24-17(27)9-8-15-12(2)18-19(23-13(15)3)25(4)21(29)26(5)20(18)28/h6-7,10H,8-9H2,1-5H3,(H,24,27)
InChIKeyNKTIJAQLNMWMTJ-UHFFFAOYSA-N
XLogP2.27
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864152
N-(2,4-dimethylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864151
N-(3-fluoro-4-methylphenyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 23603523
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-(2-pyrrolidin-1-ylethyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864041
N-cycloheptyl-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864025
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864076
N-(4-methylphenyl)-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23604260
3-[1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl]-N-(4-methylphenyl)propanamide
CID 23603974
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-methyl-4-[3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanoylamino]benzamide
CID 24617794
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24624544

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide (CID 20864146) is N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is Cc1ccc(NC(=O)CCc2c(C)nc3c(c2C)c(=O)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
The InChIKey is NKTIJAQLNMWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-11-6-7-14(10-16(11)22)24-17(27)9-8-15-12(2)18-19(23-13(15)3)25(4)21(29)26(5)20(18)28/h6-7,10H,8-9H2,1-5H3,(H,24,27).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide?
N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide has a molecular weight of 398.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20864146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).