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

C22H17FN4O3 — CID 27564314

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccccc1
InChIInChI=1S/C22H17FN4O3/c23-16-10-8-15(9-11-16)13-27-21(29)20-18(7-4-12-24-20)26(22(27)30)14-19(28)25-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,25,28)
InChIKeyFQGLKZGJJLFZPF-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.38
Rot. Bonds5

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

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (PubChem CID 27564314) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
PubChem CID27564314
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccccc1
InChIInChI=1S/C22H17FN4O3/c23-16-10-8-15(9-11-16)13-27-21(29)20-18(7-4-12-24-20)26(22(27)30)14-19(28)25-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,25,28)
InChIKeyFQGLKZGJJLFZPF-UHFFFAOYSA-N
XLogP2.38
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide (CID 27564314) is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccccc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is FQGLKZGJJLFZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-16-10-8-15(9-11-16)13-27-21(29)20-18(7-4-12-24-20)26(22(27)30)14-19(28)25-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,25,28).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 404.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 27564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).