N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide

C24H21FN4O3 — CID 27505333

IUPACN-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H21FN4O3/c1-16-4-6-18(7-5-16)14-29-23(31)22-20(3-2-12-26-22)28(24(29)32)15-21(30)27-13-17-8-10-19(25)11-9-17/h2-12H,13-15H2,1H3,(H,27,30)
InChIKeyGBIXYHINEACQHO-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.37
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 27505333) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID27505333
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
SMILESCc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H21FN4O3/c1-16-4-6-18(7-5-16)14-29-23(31)22-20(3-2-12-26-22)28(24(29)32)15-21(30)27-13-17-8-10-19(25)11-9-17/h2-12H,13-15H2,1H3,(H,27,30)
InChIKeyGBIXYHINEACQHO-UHFFFAOYSA-N
XLogP2.37
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide (CID 27505333) is N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide is Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is GBIXYHINEACQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-16-4-6-18(7-5-16)14-29-23(31)22-20(3-2-12-26-22)28(24(29)32)15-21(30)27-13-17-8-10-19(25)11-9-17/h2-12H,13-15H2,1H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 432.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 27505333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).