ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate

C16H12N4O4 — CID 11844589

IUPACethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(C)c(C#N)c(-n3ccnc3)nc2oc1=O
InChIInChI=1S/C16H12N4O4/c1-3-23-15(21)11-6-10-9(2)12(7-17)13(20-5-4-18-8-20)19-14(10)24-16(11)22/h4-6,8H,3H2,1-2H3
InChIKeyAMNUVKFCCIKSMS-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.73
Rot. Bonds3

About ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate

ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate (PubChem CID 11844589) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate
PubChem CID11844589
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Nameethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(C)c(C#N)c(-n3ccnc3)nc2oc1=O
InChIInChI=1S/C16H12N4O4/c1-3-23-15(21)11-6-10-9(2)12(7-17)13(20-5-4-18-8-20)19-14(10)24-16(11)22/h4-6,8H,3H2,1-2H3
InChIKeyAMNUVKFCCIKSMS-UHFFFAOYSA-N
XLogP1.73
TPSA111.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-cyano-7-(dicyclohexylamino)-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate
CID 11844466
ethyl 5-ethyl-6-imidazol-1-ylpyridazine-3-carboxylate
CID 167661116
ethyl 6-amino-4-(3-chloro-4-imidazol-1-ylphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 169390987
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
ethyl 3,5-dicyano-2,4-dimethylbenzoate
CID 156825800
5-amino-2-imidazol-1-yl-6-methylpyridine-3-carbonitrile
CID 58153486
ethyl 3-imidazol-1-yl-2-nitrobenzoate
CID 59587735
ethyl 4-chloro-3-cyano-2-methylbenzoate
CID 134651030
ethyl 5-amino-4-cyanopyridine-3-carboxylate
CID 131116989
ethyl 7-hydroxy-5-methyl-2-oxochromene-3-carboxylate
CID 23085530
ethyl 2-(4-imidazol-1-ylphenoxy)pyridine-3-carboxylate
CID 47083356
ethyl 2-oxo-6-pyrimidin-5-ylchromene-3-carboxylate
CID 46229575

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate (CID 11844589) is ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1cc2c(C)c(C#N)c(-n3ccnc3)nc2oc1=O.
What is the InChIKey of ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate?
The InChIKey is AMNUVKFCCIKSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c1-3-23-15(21)11-6-10-9(2)12(7-17)13(20-5-4-18-8-20)19-14(10)24-16(11)22/h4-6,8H,3H2,1-2H3.
What are the key properties of ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate?
ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-7-imidazol-1-yl-5-methyl-2-oxopyrano[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 11844589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).