2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide

C26H26N4O3 — CID 17250805

IUPAC2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H26N4O3/c1-18-16-19(2)28-24-23(18)25(32)29(26(33)30(24)21-13-7-4-8-14-21)17-22(31)27-15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,16H,9,12,15,17H2,1-2H3,(H,27,31)
InChIKeyDVIFDFHMDBRUAT-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.91
Rot. Bonds7

About 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide

2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 17250805) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide
PubChem CID17250805
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide
SMILESCc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C26H26N4O3/c1-18-16-19(2)28-24-23(18)25(32)29(26(33)30(24)21-13-7-4-8-14-21)17-22(31)27-15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,16H,9,12,15,17H2,1-2H3,(H,27,31)
InChIKeyDVIFDFHMDBRUAT-UHFFFAOYSA-N
XLogP2.91
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 17251369
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 17250529
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 17250538
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
N-(4-bromo-2-fluorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17251346
5,7-dimethyl-1-phenyl-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250755
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 29057460
methyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250660
N-(2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 25238568

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide (CID 17250805) is 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide is Cc1cc(C)c2c(=O)n(CC(=O)NCCCc3ccccc3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is DVIFDFHMDBRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18-16-19(2)28-24-23(18)25(32)29(26(33)30(24)21-13-7-4-8-14-21)17-22(31)27-15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,16H,9,12,15,17H2,1-2H3,(H,27,31).
What are the key properties of 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide?
2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 17250805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).