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

C24H24F2N4O2 — CID 53143466

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(F)c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H24F2N4O2/c1-2-22-28-21-10-11-29(13-16-6-4-3-5-7-16)14-18(21)24(32)30(22)15-23(31)27-17-8-9-19(25)20(26)12-17/h3-9,12H,2,10-11,13-15H2,1H3,(H,27,31)
InChIKeyQSDWZSVYHAQSLN-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.28
Rot. Bonds6

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 53143466) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 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-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID53143466
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(F)c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C24H24F2N4O2/c1-2-22-28-21-10-11-29(13-16-6-4-3-5-7-16)14-18(21)24(32)30(22)15-23(31)27-17-8-9-19(25)20(26)12-17/h3-9,12H,2,10-11,13-15H2,1H3,(H,27,31)
InChIKeyQSDWZSVYHAQSLN-UHFFFAOYSA-N
XLogP3.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.28
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-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide (CID 53143466) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)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-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(F)c1)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-(3,4-difluorophenyl)acetamide?
The InChIKey is QSDWZSVYHAQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-2-22-28-21-10-11-29(13-16-6-4-3-5-7-16)14-18(21)24(32)30(22)15-23(31)27-17-8-9-19(25)20(26)12-17/h3-9,12H,2,10-11,13-15H2,1H3,(H,27,31).
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-(3,4-difluorophenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.28, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 53143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).