pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate

C19H17NO2 — CID 135060944

IUPACpyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2c1)OCc1ccccn1
InChIInChI=1S/C19H17NO2/c21-19(22-14-18-7-3-4-12-20-18)11-9-15-8-10-16-5-1-2-6-17(16)13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyGEONJMPDHCYPRS-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.91
Rot. Bonds5

About pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate

pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate (PubChem CID 135060944) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate
PubChem CID135060944
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Namepyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2c1)OCc1ccccn1
InChIInChI=1S/C19H17NO2/c21-19(22-14-18-7-3-4-12-20-18)11-9-15-8-10-16-5-1-2-6-17(16)13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyGEONJMPDHCYPRS-UHFFFAOYSA-N
XLogP3.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004
pyridin-2-ylmethyl 2-cyanoacetate
CID 135348662
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
naphthalen-2-ylmethyl 4-methylpentanoate
CID 135060928
pyridin-2-ylmethyl N,N-bis(sulfanyl)carbamate
CID 91115950
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
4-O-(2,2-dichloroethyl) 1-O-(naphthalen-2-ylmethyl) butanedioate
CID 91717334
N-(3-hydroxy-2-pyridinyl)-3-naphthalen-2-ylpropanamide
CID 60521388
pyridin-2-ylmethyl 5-oxooctadecanoate
CID 91700204
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
1,3-bis(3-naphthalen-2-ylpropanoyloxy)propan-2-yl 4-[[4-[1,3-bis(3-naphthalen-2-ylpropanoyloxy)propan-2-yloxy]-4-oxobutyl]amino]butanoate
CID 172522242
1-O-(8-chlorooctyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717152

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate?
The IUPAC name of pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate (CID 135060944) is pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate?
The canonical SMILES for pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate is O=C(CCc1ccc2ccccc2c1)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate?
The InChIKey is GEONJMPDHCYPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(22-14-18-7-3-4-12-20-18)11-9-15-8-10-16-5-1-2-6-17(16)13-15/h1-8,10,12-13H,9,11,14H2.
What are the key properties of pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate?
pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate has a molecular weight of 291.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 135060944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).