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

C23H32N4O2 — CID 53002989

IUPAC2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)NC(C)(C)C)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H32N4O2/c1-5-9-20-24-19-15-26(14-17-10-7-6-8-11-17)13-12-18(19)22(29)27(20)16-21(28)25-23(2,3)4/h6-8,10-11H,5,9,12-16H2,1-4H3,(H,25,28)
InChIKeyPJKGUNRCWMJISP-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.67
Rot. Bonds6

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

2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide (PubChem CID 53002989) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 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-tert-butylacetamide.

Molecular Properties

Compound Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide
PubChem CID53002989
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide
SMILESCCCc1nc2c(c(=O)n1CC(=O)NC(C)(C)C)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H32N4O2/c1-5-9-20-24-19-15-26(14-17-10-7-6-8-11-17)13-12-18(19)22(29)27(20)16-21(28)25-23(2,3)4/h6-8,10-11H,5,9,12-16H2,1-4H3,(H,25,28)
InChIKeyPJKGUNRCWMJISP-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.67
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-chlorophenyl)acetamide
CID 53031397
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-[(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-(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-(oxolan-2-ylmethyl)acetamide
CID 53031430
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-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-(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-methylcyclohexyl)acetamide
CID 46962440
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-(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

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-tert-butylacetamide?
The IUPAC name of 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide (CID 53002989) is 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide.
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-tert-butylacetamide?
The canonical SMILES for 2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide is CCCc1nc2c(c(=O)n1CC(=O)NC(C)(C)C)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-tert-butylacetamide?
The InChIKey is PJKGUNRCWMJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-9-20-24-19-15-26(14-17-10-7-6-8-11-17)13-12-18(19)22(29)27(20)16-21(28)25-23(2,3)4/h6-8,10-11H,5,9,12-16H2,1-4H3,(H,25,28).
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-tert-butylacetamide?
2-(7-benzyl-4-oxo-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-tert-butylacetamide has a molecular weight of 396.54 g/mol, XLogP of 2.67, 6 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-tert-butylacetamide is sourced from PubChem (CID 53002989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).