pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

C19H23NO2 — CID 3673

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IUPACpyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
InChIKeyACEWLPOYLGNNHV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.13
Rot. Bonds6

About pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 3673) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID3673
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namepyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
InChIKeyACEWLPOYLGNNHV-UHFFFAOYSA-N
XLogP4.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-Oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate
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4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671
Methyl 1-[[4-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]methyl]azetidine-3-carboxylate
CID 166559115
Decyl pyridine-2-carboxylate
CID 219539
2-Pyridinylmethyl butyrate
CID 99347
Anc 39
CID 214521
3-phenylpyridine-2-carboxylic Acid
CID 2762789
Ethyl isoquinolin-3-carboxylate
CID 11435602

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 3673) is pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is ACEWLPOYLGNNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate?
pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 297.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 3673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).