5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

C24H23FN4O3 — CID 5127495

IUPAC5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(F)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C24H23FN4O3/c1-13-7-5-6-8-17(13)27-22(30)18-14(2)26-21-20(23(31)29(4)24(32)28(21)3)19(18)15-9-11-16(25)12-10-15/h5-12,19,26H,1-4H3,(H,27,30)
InChIKeyYDXHKFKFGSAHPR-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.00
Rot. Bonds3

About 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 5127495) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID5127495
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccc(F)cc2)c2c(n(C)c(=O)n(C)c2=O)N1
InChIInChI=1S/C24H23FN4O3/c1-13-7-5-6-8-17(13)27-22(30)18-14(2)26-21-20(23(31)29(4)24(32)28(21)3)19(18)15-9-11-16(25)12-10-15/h5-12,19,26H,1-4H3,(H,27,30)
InChIKeyYDXHKFKFGSAHPR-UHFFFAOYSA-N
XLogP3.00
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide (CID 5127495) is 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(F)cc2)c2c(n(C)c(=O)n(C)c2=O)N1.
What is the InChIKey of 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YDXHKFKFGSAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-13-7-5-6-8-17(13)27-22(30)18-14(2)26-21-20(23(31)29(4)24(32)28(21)3)19(18)15-9-11-16(25)12-10-15/h5-12,19,26H,1-4H3,(H,27,30).
What are the key properties of 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide?
5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,3,7-trimethyl-N-(2-methylphenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 5127495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).