ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

C20H19N3O6 — CID 86206943

IUPACethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c2c1OC(=O)CC2c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H19N3O6/c1-4-28-19(26)12-9-21-18(25)16-11(8-15(24)29-17(12)16)10-5-6-13-14(7-10)23(3)20(27)22(13)2/h5-7,9,11H,4,8H2,1-3H3,(H,21,25)
InChIKeySWWIFYLTBJTDBS-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.18
Rot. Bonds3

About ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate

ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate (PubChem CID 86206943) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
PubChem CID86206943
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Nameethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c2c1OC(=O)CC2c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H19N3O6/c1-4-28-19(26)12-9-21-18(25)16-11(8-15(24)29-17(12)16)10-5-6-13-14(7-10)23(3)20(27)22(13)2/h5-7,9,11H,4,8H2,1-3H3,(H,21,25)
InChIKeySWWIFYLTBJTDBS-UHFFFAOYSA-N
XLogP1.18
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (4R)-2,5-dioxo-4-quinoxalin-6-yl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate
CID 99983804
4-[5-(8-ethoxycarbonyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl)furan-2-yl]benzoic acid
CID 91637756
(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97264954
ethyl 1-(3-ethyl-1-methyl-2-oxobenzimidazol-5-yl)-2,4-dioxopyrimidine-5-carboxylate
CID 123528972
(2Z,9R)-9-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99988771
ethyl 3-(cyclopropylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 162426049
ethyl (4S)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 132547002
(4R)-4-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428741
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268
ethyl 3-[(3-chloro-2-methylphenyl)methyl]-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dioxopyrimidine-5-carboxylate
CID 118091989
tert-butyl 6-(5-ethoxycarbonyl-2,4-dioxopyrimidin-1-yl)-3-methyl-2-oxobenzimidazole-1-carboxylate
CID 90022397
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The IUPAC name of ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate (CID 86206943) is ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The canonical SMILES for ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate is CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)CC2c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
The InChIKey is SWWIFYLTBJTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-4-28-19(26)12-9-21-18(25)16-11(8-15(24)29-17(12)16)10-5-6-13-14(7-10)23(3)20(27)22(13)2/h5-7,9,11H,4,8H2,1-3H3,(H,21,25).
What are the key properties of ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate?
ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridine-8-carboxylate is sourced from PubChem (CID 86206943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).