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

C25H27ClN4O2 — CID 53031397

IUPAC2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27ClN4O2/c1-2-8-23-27-22-16-29(15-18-9-4-3-5-10-18)14-13-19(22)25(32)30(23)17-24(31)28-21-12-7-6-11-20(21)26/h3-7,9-12H,2,8,13-17H2,1H3,(H,28,31)
InChIKeyFYDVQVCBJNUFLF-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.05
Rot. Bonds7

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide (PubChem CID 53031397) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
PubChem CID53031397
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H27ClN4O2/c1-2-8-23-27-22-16-29(15-18-9-4-3-5-10-18)14-13-19(22)25(32)30(23)17-24(31)28-21-12-7-6-11-20(21)26/h3-7,9-12H,2,8,13-17H2,1H3,(H,28,31)
InChIKeyFYDVQVCBJNUFLF-UHFFFAOYSA-N
XLogP4.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-tert-butylacetamide
CID 53002989
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53031416
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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53031405
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
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-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-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-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

Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide (CID 53031397) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide is CCCc1nc2c(c(=O)n1CC(=O)Nc1ccccc1Cl)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
The InChIKey is FYDVQVCBJNUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-2-8-23-27-22-16-29(15-18-9-4-3-5-10-18)14-13-19(22)25(32)30(23)17-24(31)28-21-12-7-6-11-20(21)26/h3-7,9-12H,2,8,13-17H2,1H3,(H,28,31).
What are the key properties of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide?
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide has a molecular weight of 450.97 g/mol, XLogP of 4.05, 7 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-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 53031397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).