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

C24H25FN4O2 — CID 53143445

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H25FN4O2/c1-2-22-27-21-12-13-28(14-17-6-4-3-5-7-17)15-20(21)24(31)29(22)16-23(30)26-19-10-8-18(25)9-11-19/h3-11H,2,12-16H2,1H3,(H,26,30)
InChIKeyUVIJUDAHVQFGJI-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.14
Rot. Bonds6

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 53143445) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID53143445
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H25FN4O2/c1-2-22-27-21-12-13-28(14-17-6-4-3-5-7-17)15-20(21)24(31)29(22)16-23(30)26-19-10-8-18(25)9-11-19/h3-11H,2,12-16H2,1H3,(H,26,30)
InChIKeyUVIJUDAHVQFGJI-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (CID 53143445) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is UVIJUDAHVQFGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-2-22-27-21-12-13-28(14-17-6-4-3-5-7-17)15-20(21)24(31)29(22)16-23(30)26-19-10-8-18(25)9-11-19/h3-11H,2,12-16H2,1H3,(H,26,30).
What are the key properties of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53143445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).