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

C23H24N4O2 — CID 46507886

IUPAC2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-5-9-19(12-17)25-22(28)15-27-16-24-21-14-26(11-10-20(21)23(27)29)13-18-7-3-2-4-8-18/h2-9,12,16H,10-11,13-15H2,1H3,(H,25,28)
InChIKeyRMQYLEBIPIRFEI-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.75
Rot. Bonds5

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

2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 46507886) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID46507886
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-5-9-19(12-17)25-22(28)15-27-16-24-21-14-26(11-10-20(21)23(27)29)13-18-7-3-2-4-8-18/h2-9,12,16H,10-11,13-15H2,1H3,(H,25,28)
InChIKeyRMQYLEBIPIRFEI-UHFFFAOYSA-N
XLogP2.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
CID 53109812
2-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135999067
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 50826144
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53031242
N-(3-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 7104057
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 46954333
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 50826260
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-butylphenyl)acetamide
CID 53031264
2-(5-bromo-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 66310621
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53031405

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide (CID 46507886) is 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1.
What is the InChIKey of 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is RMQYLEBIPIRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-6-5-9-19(12-17)25-22(28)15-27-16-24-21-14-26(11-10-20(21)23(27)29)13-18-7-3-2-4-8-18/h2-9,12,16H,10-11,13-15H2,1H3,(H,25,28).
What are the key properties of 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide?
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46507886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).