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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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).