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

C23H26N4O3 — CID 53143432

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H26N4O3/c1-2-21-25-20-10-11-26(14-17-7-4-3-5-8-17)15-19(20)23(29)27(21)16-22(28)24-13-18-9-6-12-30-18/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,28)
InChIKeyPMXNOWXKGIUQIV-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.27
Rot. Bonds7

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53143432) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 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-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53143432
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C23H26N4O3/c1-2-21-25-20-10-11-26(14-17-7-4-3-5-8-17)15-19(20)23(29)27(21)16-22(28)24-13-18-9-6-12-30-18/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,28)
InChIKeyPMXNOWXKGIUQIV-UHFFFAOYSA-N
XLogP2.27
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 53143432) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)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-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)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-(furan-2-ylmethyl)acetamide?
The InChIKey is PMXNOWXKGIUQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-21-25-20-10-11-26(14-17-7-4-3-5-8-17)15-19(20)23(29)27(21)16-22(28)24-13-18-9-6-12-30-18/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,28).
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-(furan-2-ylmethyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53143432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).