pyridin-3-ylmethyl 3-indol-1-ylpropanoate

C17H16N2O2 — CID 23203254

IUPACpyridin-3-ylmethyl 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)OCc1cccnc1
InChIInChI=1S/C17H16N2O2/c20-17(21-13-14-4-3-9-18-12-14)8-11-19-10-7-15-5-1-2-6-16(15)19/h1-7,9-10,12H,8,11,13H2
InChIKeyFPBIJNPFSOYJTP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.17
Rot. Bonds5

About pyridin-3-ylmethyl 3-indol-1-ylpropanoate

pyridin-3-ylmethyl 3-indol-1-ylpropanoate (PubChem CID 23203254) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is pyridin-3-ylmethyl 3-indol-1-ylpropanoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 3-indol-1-ylpropanoate
PubChem CID23203254
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namepyridin-3-ylmethyl 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)OCc1cccnc1
InChIInChI=1S/C17H16N2O2/c20-17(21-13-14-4-3-9-18-12-14)8-11-19-10-7-15-5-1-2-6-16(15)19/h1-7,9-10,12H,8,11,13H2
InChIKeyFPBIJNPFSOYJTP-UHFFFAOYSA-N
XLogP3.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
5-(2-Methyl-3-(pyridin-3-yl)-1H-indol-1-yl)pentanoic acid
CID 9926621
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
1-(4-Carboxybutyl)-3-methyl-2-(3-pyridyl)indole
CID 15591372
ethyl (E)-3-[3-(1-methylindol-5-yl)-4-pyridinyl]prop-2-enoate
CID 162352580
2-(3-Benzyloxy-propyl)-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44351171
[1-[(4-Chlorophenyl)methyl]indol-3-yl]methyl acetate
CID 52951229
(E)-ethyl 3-(1-benzyl-1H-indol-3-yl)-2-cyanoacrylate
CID 828079
benzyl 3-(1H-indol-3-yl)propanoate
CID 13855378
(10-Cyano-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-9-yl) acetate
CID 657562

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 3-indol-1-ylpropanoate?
The IUPAC name of pyridin-3-ylmethyl 3-indol-1-ylpropanoate (CID 23203254) is pyridin-3-ylmethyl 3-indol-1-ylpropanoate.
What is the SMILES notation for pyridin-3-ylmethyl 3-indol-1-ylpropanoate?
The canonical SMILES for pyridin-3-ylmethyl 3-indol-1-ylpropanoate is O=C(CCn1ccc2ccccc21)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl 3-indol-1-ylpropanoate?
The InChIKey is FPBIJNPFSOYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17(21-13-14-4-3-9-18-12-14)8-11-19-10-7-15-5-1-2-6-16(15)19/h1-7,9-10,12H,8,11,13H2.
What are the key properties of pyridin-3-ylmethyl 3-indol-1-ylpropanoate?
pyridin-3-ylmethyl 3-indol-1-ylpropanoate has a molecular weight of 280.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl 3-indol-1-ylpropanoate is sourced from PubChem (CID 23203254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).