ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate

C18H15NO5 — CID 13329422

IUPACethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C18H15NO5/c1-3-23-17(21)14-10(2)19-16(20)15-12(14)9-13(24-18(15)22)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLMIIILSWRMYSOP-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.63
Rot. Bonds3

About ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate

ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate (PubChem CID 13329422) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate
PubChem CID13329422
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Nameethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(=O)c2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C18H15NO5/c1-3-23-17(21)14-10(2)19-16(20)15-12(14)9-13(24-18(15)22)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLMIIILSWRMYSOP-UHFFFAOYSA-N
XLogP2.63
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxyamino)-N-methyl-2-oxo-6-phenylpyran-3-carboxamide
CID 76310891
4-(hydroxyamino)-2-oxo-6-phenyl-N-propylpyran-3-carboxamide
CID 76321793
4-(hydroxyamino)-N-(3-hydroxypropyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76321794
N-ethyl-4-(hydroxyamino)-2-oxo-6-phenylpyran-3-carboxamide
CID 76328970
4-(hydroxyamino)-2-oxo-6-phenyl-N-propan-2-ylpyran-3-carboxamide
CID 76336251
4-(hydroxyamino)-N-(2-hydroxyethyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76310892
Spf-32629B
CID 54684614
4-hydroxy-6-[(S)-3-methylbutanoyloxy(phenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 54728545
4-hydroxy-6-[(R)-3-methylbutanoyloxy(phenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 54728546
ethyl 6-benzyl-4-(2-methylcyclohexoxy)-2-oxo-1H-pyridine-3-carboxylate
CID 71655208
ethyl 6-benzyl-4-(cycloheptoxy)-2-oxo-1H-pyridine-3-carboxylate
CID 71655206
ethyl 4-(2-methylcyclohexoxy)-2-oxo-6-phenethyl-1H-pyridine-3-carboxylate
CID 53303924

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate (CID 13329422) is ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate is CCOC(=O)c1c(C)[nH]c(=O)c2c(=O)oc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate?
The InChIKey is LMIIILSWRMYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-3-23-17(21)14-10(2)19-16(20)15-12(14)9-13(24-18(15)22)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate?
ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1,8-dioxo-3-phenyl-7H-pyrano[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 13329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).