ethyl 4-methyl-3-pyridin-4-ylhexanoate

C14H21NO2 — CID 171748001

IUPACethyl 4-methyl-3-pyridin-4-ylhexanoate
SMILESCCOC(=O)CC(c1ccncc1)C(C)CC
InChIInChI=1S/C14H21NO2/c1-4-11(3)13(10-14(16)17-5-2)12-6-8-15-9-7-12/h6-9,11,13H,4-5,10H2,1-3H3
InChIKeyWWXKTHSWHJJCLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.16
Rot. Bonds6

About ethyl 4-methyl-3-pyridin-4-ylhexanoate

ethyl 4-methyl-3-pyridin-4-ylhexanoate (PubChem CID 171748001) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl 4-methyl-3-pyridin-4-ylhexanoate.

Molecular Properties

Compound Nameethyl 4-methyl-3-pyridin-4-ylhexanoate
PubChem CID171748001
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl 4-methyl-3-pyridin-4-ylhexanoate
SMILESCCOC(=O)CC(c1ccncc1)C(C)CC
InChIInChI=1S/C14H21NO2/c1-4-11(3)13(10-14(16)17-5-2)12-6-8-15-9-7-12/h6-9,11,13H,4-5,10H2,1-3H3
InChIKeyWWXKTHSWHJJCLT-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-hydroxy-3-oxo-5-pyridin-4-ylpentanoate
CID 71733856
diethyl 3-oxo-2-pyridin-4-ylpentanedioate
CID 22022924
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
ethyl 3-pyridin-4-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170817242
diethyl 2-(pyridin-4-ylmethyl)butanedioate
CID 14982424
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
ethyl 4-(7-methylnaphthalen-2-yl)-4-oxo-3-pyridin-4-ylbutanoate
CID 123462184
ethyl 4-nitroso-3-phenylpentanoate
CID 91897581
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-pyridin-4-ylhexanoate?
The IUPAC name of ethyl 4-methyl-3-pyridin-4-ylhexanoate (CID 171748001) is ethyl 4-methyl-3-pyridin-4-ylhexanoate.
What is the SMILES notation for ethyl 4-methyl-3-pyridin-4-ylhexanoate?
The canonical SMILES for ethyl 4-methyl-3-pyridin-4-ylhexanoate is CCOC(=O)CC(c1ccncc1)C(C)CC.
What is the InChIKey of ethyl 4-methyl-3-pyridin-4-ylhexanoate?
The InChIKey is WWXKTHSWHJJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11(3)13(10-14(16)17-5-2)12-6-8-15-9-7-12/h6-9,11,13H,4-5,10H2,1-3H3.
What are the key properties of ethyl 4-methyl-3-pyridin-4-ylhexanoate?
ethyl 4-methyl-3-pyridin-4-ylhexanoate has a molecular weight of 235.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-pyridin-4-ylhexanoate is sourced from PubChem (CID 171748001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).