N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide

C25H22N4O6 — CID 50811242

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C25H22N4O6/c1-14-10-15(2)26-23-22(14)24(31)28(25(32)29(23)17-6-4-5-7-18(17)33-3)12-21(30)27-16-8-9-19-20(11-16)35-13-34-19/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyZNEQOUZHFJEFCT-UHFFFAOYSA-N
MW474.47 g/mol
LogP2.54
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 50811242) has the molecular formula C25H22N4O6 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID50811242
Molecular FormulaC25H22N4O6
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21
InChIInChI=1S/C25H22N4O6/c1-14-10-15(2)26-23-22(14)24(31)28(25(32)29(23)17-6-4-5-7-18(17)33-3)12-21(30)27-16-8-9-19-20(11-16)35-13-34-19/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyZNEQOUZHFJEFCT-UHFFFAOYSA-N
XLogP2.54
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250594
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-[(2-methoxyphenyl)methyl]-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 118467957
1-(2-methoxyphenyl)-5,7-dimethyl-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250585
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-(1,3-benzodioxol-5-yl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2052841
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893985
N-(2-chlorophenyl)-2-(5,7-dimethyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 17250505
2-[4-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763301
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
N-(1,3-benzodioxol-5-yl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587739

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide (CID 50811242) is N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide is COc1ccccc1-n1c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c2c(C)cc(C)nc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is ZNEQOUZHFJEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6/c1-14-10-15(2)26-23-22(14)24(31)28(25(32)29(23)17-6-4-5-7-18(17)33-3)12-21(30)27-16-8-9-19-20(11-16)35-13-34-19/h4-11H,12-13H2,1-3H3,(H,27,30).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 474.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 50811242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).