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

C23H23FN4O2 — CID 46962442

IUPAC2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H23FN4O2/c1-16-25-21-14-27(13-17-5-3-2-4-6-17)12-11-20(21)23(30)28(16)15-22(29)26-19-9-7-18(24)8-10-19/h2-10H,11-15H2,1H3,(H,26,29)
InChIKeyMPKLKCZCNWYYKU-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.89
Rot. Bonds5

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 46962442) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID46962442
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H23FN4O2/c1-16-25-21-14-27(13-17-5-3-2-4-6-17)12-11-20(21)23(30)28(16)15-22(29)26-19-9-7-18(24)8-10-19/h2-10H,11-15H2,1H3,(H,26,29)
InChIKeyMPKLKCZCNWYYKU-UHFFFAOYSA-N
XLogP2.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide (CID 46962442) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide is Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is MPKLKCZCNWYYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-25-21-14-27(13-17-5-3-2-4-6-17)12-11-20(21)23(30)28(16)15-22(29)26-19-9-7-18(24)8-10-19/h2-10H,11-15H2,1H3,(H,26,29).
What are the key properties of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).