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

C24H32N4O2 — CID 46962440

IUPAC2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCC(C)CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H32N4O2/c1-17-8-10-20(11-9-17)26-23(29)16-28-18(2)25-22-15-27(13-12-21(22)24(28)30)14-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3,(H,26,29)
InChIKeyHPZJRQZBJFXFMG-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.80
Rot. Bonds5

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

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 46962440) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 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-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID46962440
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCC(C)CC1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C24H32N4O2/c1-17-8-10-20(11-9-17)26-23(29)16-28-18(2)25-22-15-27(13-12-21(22)24(28)30)14-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3,(H,26,29)
InChIKeyHPZJRQZBJFXFMG-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.80
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-(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-(2-methoxyphenyl)acetamide
CID 53031244
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-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide
CID 53002989
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53031422
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-ethylphenyl)acetamide
CID 53031404
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
CID 53031397
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 53031430
N-(1-benzylpiperidin-4-yl)-2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 71709864
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

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-methylcyclohexyl)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-methylcyclohexyl)acetamide (CID 46962440) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)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-methylcyclohexyl)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-methylcyclohexyl)acetamide is Cc1nc2c(c(=O)n1CC(=O)NC1CCC(C)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-methylcyclohexyl)acetamide?
The InChIKey is HPZJRQZBJFXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17-8-10-20(11-9-17)26-23(29)16-28-18(2)25-22-15-27(13-12-21(22)24(28)30)14-19-6-4-3-5-7-19/h3-7,17,20H,8-16H2,1-2H3,(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-methylcyclohexyl)acetamide?
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.80, 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-methylcyclohexyl)acetamide is sourced from PubChem (CID 46962440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).