2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

C24H25FN4O3 — CID 52906225

IUPAC2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1
InChIInChI=1S/C24H25FN4O3/c1-3-28-13-12-19-18(14-28)24(31)29(23(27-19)16-8-10-17(25)11-9-16)15-22(30)26-20-6-4-5-7-21(20)32-2/h4-11H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyQRVOUMPLMWBMFY-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.07
Rot. Bonds6

About 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide

2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 52906225) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID52906225
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1
InChIInChI=1S/C24H25FN4O3/c1-3-28-13-12-19-18(14-28)24(31)29(23(27-19)16-8-10-17(25)11-9-16)15-22(30)26-20-6-4-5-7-21(20)32-2/h4-11H,3,12-15H2,1-2H3,(H,26,30)
InChIKeyQRVOUMPLMWBMFY-UHFFFAOYSA-N
XLogP3.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide (CID 52906225) is 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide is CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1.
What is the InChIKey of 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is QRVOUMPLMWBMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-3-28-13-12-19-18(14-28)24(31)29(23(27-19)16-8-10-17(25)11-9-16)15-22(30)26-20-6-4-5-7-21(20)32-2/h4-11H,3,12-15H2,1-2H3,(H,26,30).
What are the key properties of 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 52906225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).