pyridin-3-ylmethyl 2-propylpentanoate

C14H21NO2 — CID 10243172

IUPACpyridin-3-ylmethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCc1cccnc1
InChIInChI=1S/C14H21NO2/c1-3-6-13(7-4-2)14(16)17-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3
InChIKeyKNDWJYJAHUVONC-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.34
Rot. Bonds7

About pyridin-3-ylmethyl 2-propylpentanoate

pyridin-3-ylmethyl 2-propylpentanoate (PubChem CID 10243172) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is pyridin-3-ylmethyl 2-propylpentanoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 2-propylpentanoate
PubChem CID10243172
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepyridin-3-ylmethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCc1cccnc1
InChIInChI=1S/C14H21NO2/c1-3-6-13(7-4-2)14(16)17-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3
InChIKeyKNDWJYJAHUVONC-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
methyl 2-(pyridin-3-ylmethyl)pentanoate
CID 174237588
2,4-dimethyl-5-oxo-5-(pyridin-3-ylmethoxy)pentanoic acid
CID 70449179
pyridin-3-ylmethyl 4-methylpentanoate
CID 14009314
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
benzyl 2-propyldecanoate
CID 175305414
pyridin-3-ylmethyl hex-2-enoate
CID 173039586
pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
pyridin-3-ylmethyl 9-methyltetradecanoate
CID 91700055
benzyl 2-phenacylpentanoate
CID 174539289
pyridin-3-ylmethyl (2S)-2-amino-2-hydroxy-3-methylbutanoate
CID 140969676
benzyl 2-butylhexanoate
CID 175287311

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 2-propylpentanoate?
The IUPAC name of pyridin-3-ylmethyl 2-propylpentanoate (CID 10243172) is pyridin-3-ylmethyl 2-propylpentanoate.
What is the SMILES notation for pyridin-3-ylmethyl 2-propylpentanoate?
The canonical SMILES for pyridin-3-ylmethyl 2-propylpentanoate is CCCC(CCC)C(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 2-propylpentanoate?
The InChIKey is KNDWJYJAHUVONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-6-13(7-4-2)14(16)17-11-12-8-5-9-15-10-12/h5,8-10,13H,3-4,6-7,11H2,1-2H3.
What are the key properties of pyridin-3-ylmethyl 2-propylpentanoate?
pyridin-3-ylmethyl 2-propylpentanoate has a molecular weight of 235.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 2-propylpentanoate is sourced from PubChem (CID 10243172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).