ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate

C16H20N2O4 — CID 41063980

IUPACethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2c(cc1C#N)CO[C@](C)(CC)C2
InChIInChI=1S/C16H20N2O4/c1-4-16(3)7-13-12(9-22-16)6-11(8-17)15(18-13)21-10-14(19)20-5-2/h6H,4-5,7,9-10H2,1-3H3/t16-/m1/s1
InChIKeyQZCDYFLASRVZOA-MRXNPFEDSA-N
MW304.35 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate

ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate (PubChem CID 41063980) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate
PubChem CID41063980
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc2c(cc1C#N)CO[C@](C)(CC)C2
InChIInChI=1S/C16H20N2O4/c1-4-16(3)7-13-12(9-22-16)6-11(8-17)15(18-13)21-10-14(19)20-5-2/h6H,4-5,7,9-10H2,1-3H3/t16-/m1/s1
InChIKeyQZCDYFLASRVZOA-MRXNPFEDSA-N
XLogP2.14
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 39378248
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
ethyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
CID 605145
ethyl (7S)-2-amino-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-1-ium-3-carboxylate
CID 7365844
ethyl 2-[5-cyano-2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]phenoxy]acetate
CID 67440007
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-6-(3-oxobutoxy)pyridine-3,5-dicarbonitrile
CID 90113370
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
ethyl 2-[2-cyano-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620086

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate (CID 41063980) is ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate is CCOC(=O)COc1nc2c(cc1C#N)CO[C@](C)(CC)C2.
What is the InChIKey of ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate?
The InChIKey is QZCDYFLASRVZOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-16(3)7-13-12(9-22-16)6-11(8-17)15(18-13)21-10-14(19)20-5-2/h6H,4-5,7,9-10H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate?
ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate has a molecular weight of 304.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(7R)-3-cyano-7-ethyl-7-methyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl]oxy]acetate is sourced from PubChem (CID 41063980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).