pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate

C17H11N3O2 — CID 11644959

IUPACpyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate
SMILESO=C(Oc1cccnc1)c1cccc2[nH]c3ncccc3c12
InChIInChI=1S/C17H11N3O2/c21-17(22-11-4-2-8-18-10-11)13-5-1-7-14-15(13)12-6-3-9-19-16(12)20-14/h1-10H,(H,19,20)
InChIKeyQSVPTSMTBFUGLD-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.33
Rot. Bonds2

About pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate

pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate (PubChem CID 11644959) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate
PubChem CID11644959
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Namepyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate
SMILESO=C(Oc1cccnc1)c1cccc2[nH]c3ncccc3c12
InChIInChI=1S/C17H11N3O2/c21-17(22-11-4-2-8-18-10-11)13-5-1-7-14-15(13)12-6-3-9-19-16(12)20-14/h1-10H,(H,19,20)
InChIKeyQSVPTSMTBFUGLD-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 164704440
ethyl 9H-pyrimido[4,5-b]indole-5-carboxylate
CID 175816766
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
methyl 2-(11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)benzoate
CID 134361330
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
(4-nitrophenyl) 9H-carbazole-4-carboxylate
CID 174494488
pyridin-3-yl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125989
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
phenyl quinoline-8-carboxylate
CID 2227226
3-(pyridin-3-yloxymethyl)-1H-indole-4-carboxylic acid
CID 117171587
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate?
The IUPAC name of pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate (CID 11644959) is pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate.
What is the SMILES notation for pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate?
The canonical SMILES for pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate is O=C(Oc1cccnc1)c1cccc2[nH]c3ncccc3c12.
What is the InChIKey of pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate?
The InChIKey is QSVPTSMTBFUGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-17(22-11-4-2-8-18-10-11)13-5-1-7-14-15(13)12-6-3-9-19-16(12)20-14/h1-10H,(H,19,20).
What are the key properties of pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate?
pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate is sourced from PubChem (CID 11644959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).