2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide

C24H22N4O3 — CID 27505529

IUPAC2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H22N4O3/c1-17-9-11-19(12-10-17)26-21(29)16-28-20-8-5-14-25-22(20)23(30)27(24(28)31)15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-16H2,1H3,(H,26,29)
InChIKeyQHEQPQAVWRLGQE-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.75
Rot. Bonds6

About 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide

2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 27505529) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID27505529
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)cc1
InChIInChI=1S/C24H22N4O3/c1-17-9-11-19(12-10-17)26-21(29)16-28-20-8-5-14-25-22(20)23(30)27(24(28)31)15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-16H2,1H3,(H,26,29)
InChIKeyQHEQPQAVWRLGQE-UHFFFAOYSA-N
XLogP2.75
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240709
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 27505531
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 41240694
N-(2,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569554
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
N-(4-bromo-3-methylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]acetamide
CID 53062947
N-(3-chloro-4-methylphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240826
2-[3-[(4-methylphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41240407

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide (CID 27505529) is 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)cc1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is QHEQPQAVWRLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-17-9-11-19(12-10-17)26-21(29)16-28-20-8-5-14-25-22(20)23(30)27(24(28)31)15-13-18-6-3-2-4-7-18/h2-12,14H,13,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 27505529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).