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

C22H24N4O3 — CID 53031254

IUPAC2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H24N4O3/c1-16-24-20-14-25(13-17-6-3-2-4-7-17)10-9-19(20)22(28)26(16)15-21(27)23-12-18-8-5-11-29-18/h2-8,11H,9-10,12-15H2,1H3,(H,23,27)
InChIKeyHGWTZOMOXJNJJS-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.02
Rot. Bonds6

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 53031254) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 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-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID53031254
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H24N4O3/c1-16-24-20-14-25(13-17-6-3-2-4-7-17)10-9-19(20)22(28)26(16)15-21(27)23-12-18-8-5-11-29-18/h2-8,11H,9-10,12-15H2,1H3,(H,23,27)
InChIKeyHGWTZOMOXJNJJS-UHFFFAOYSA-N
XLogP2.02
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 53031254) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)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-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide is Cc1nc2c(c(=O)n1CC(=O)NCc1ccco1)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-(furan-2-ylmethyl)acetamide?
The InChIKey is HGWTZOMOXJNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-24-20-14-25(13-17-6-3-2-4-7-17)10-9-19(20)22(28)26(16)15-21(27)23-12-18-8-5-11-29-18/h2-8,11H,9-10,12-15H2,1H3,(H,23,27).
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-(furan-2-ylmethyl)acetamide?
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53031254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).