ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate

C18H23NO5 — CID 141168809

IUPACethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate
SMILESCCCCCOc1ccn(Cc2ccc(C(=O)OCC)o2)c(=O)c1
InChIInChI=1S/C18H23NO5/c1-3-5-6-11-23-14-9-10-19(17(20)12-14)13-15-7-8-16(24-15)18(21)22-4-2/h7-10,12H,3-6,11,13H2,1-2H3
InChIKeyZFSTTWYLFILTHT-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.24
Rot. Bonds9

About ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate

ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate (PubChem CID 141168809) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate
PubChem CID141168809
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nameethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate
SMILESCCCCCOc1ccn(Cc2ccc(C(=O)OCC)o2)c(=O)c1
InChIInChI=1S/C18H23NO5/c1-3-5-6-11-23-14-9-10-19(17(20)12-14)13-15-7-8-16(24-15)18(21)22-4-2/h7-10,12H,3-6,11,13H2,1-2H3
InChIKeyZFSTTWYLFILTHT-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
1-[(3-fluoro-2-methylphenyl)methyl]-4-pentoxypyridin-2-one
CID 16657801
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
ethyl 5-[(3-aminopyrrolidin-1-yl)methyl]furan-2-carboxylate;dihydrochloride
CID 167768464
ethyl 5-(2,2-dimethylpropyl)furan-2-carboxylate
CID 59637083
ethyl 4-decoxybenzoate
CID 3706251
ethyl 4-octoxybenzoate
CID 18955745
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 78839801
(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 134024410

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate (CID 141168809) is ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate is CCCCCOc1ccn(Cc2ccc(C(=O)OCC)o2)c(=O)c1.
What is the InChIKey of ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate?
The InChIKey is ZFSTTWYLFILTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-3-5-6-11-23-14-9-10-19(17(20)12-14)13-15-7-8-16(24-15)18(21)22-4-2/h7-10,12H,3-6,11,13H2,1-2H3.
What are the key properties of ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate?
ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-oxo-4-pentoxy-1-pyridinyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 141168809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).