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

C26H24N4O6 — CID 118467957

IUPACN-(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
SMILESCOc1ccccc1Cc1cc(C)nc2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12
InChIInChI=1S/C26H24N4O6/c1-15-11-17(12-16-5-3-4-6-19(16)34-2)23-24(27-15)29-26(33)30(25(23)32)14-22(31)28-18-7-8-20-21(13-18)36-10-9-35-20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,28,31)(H,27,29,33)
InChIKeyFCXJZMLTEGIGDM-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.40
Rot. Bonds6

About 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

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 (PubChem CID 118467957) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID118467957
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC NameN-(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
SMILESCOc1ccccc1Cc1cc(C)nc2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12
InChIInChI=1S/C26H24N4O6/c1-15-11-17(12-16-5-3-4-6-19(16)34-2)23-24(27-15)29-26(33)30(25(23)32)14-22(31)28-18-7-8-20-21(13-18)36-10-9-35-20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,28,31)(H,27,29,33)
InChIKeyFCXJZMLTEGIGDM-UHFFFAOYSA-N
XLogP2.40
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
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-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2959185
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 136578810
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7386728

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1Cc1cc(C)nc2[nH]c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c12.
What is the InChIKey of 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?
The InChIKey is FCXJZMLTEGIGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-15-11-17(12-16-5-3-4-6-19(16)34-2)23-24(27-15)29-26(33)30(25(23)32)14-22(31)28-18-7-8-20-21(13-18)36-10-9-35-20/h3-8,11,13H,9-10,12,14H2,1-2H3,(H,28,31)(H,27,29,33).
What are the key properties of 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?
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 has a molecular weight of 488.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118467957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).