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

C26H30N4O2S — CID 50826400

IUPAC2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C26H30N4O2S/c1-18(2)25-28-23-16-29(15-19-8-5-4-6-9-19)13-12-22(23)26(32)30(25)17-24(31)27-20-10-7-11-21(14-20)33-3/h4-11,14,18H,12-13,15-17H2,1-3H3,(H,27,31)
InChIKeyCSCACEXOWHWELG-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.29
Rot. Bonds7

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

2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 50826400) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID50826400
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC Name2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C26H30N4O2S/c1-18(2)25-28-23-16-29(15-19-8-5-4-6-9-19)13-12-22(23)26(32)30(25)17-24(31)27-20-10-7-11-21(14-20)33-3/h4-11,14,18H,12-13,15-17H2,1-3H3,(H,27,31)
InChIKeyCSCACEXOWHWELG-UHFFFAOYSA-N
XLogP4.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide with MolForge

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Related Compounds

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-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-methylphenyl)acetamide
CID 53109812
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886
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
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-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 46954333
2-(3-benzyl-2,4-dioxopteridin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53062713
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
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 53063644
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 53031244
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
CID 53031404

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 50826400) is 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2c(C(C)C)nc3c(c2=O)CCN(Cc2ccccc2)C3)c1.
What is the InChIKey of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is CSCACEXOWHWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-18(2)25-28-23-16-29(15-19-8-5-4-6-9-19)13-12-22(23)26(32)30(25)17-24(31)27-20-10-7-11-21(14-20)33-3/h4-11,14,18H,12-13,15-17H2,1-3H3,(H,27,31).
What are the key properties of 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 462.62 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 50826400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).