[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate

C19H17N5O5S — CID 54760731

IUPAC[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate
SMILESCCOc1cc2c([nH]c3ccc(S(=O)(=O)Nc4ccccn4)cc32)c(OC(N)=O)n1
InChIInChI=1S/C19H17N5O5S/c1-2-28-16-10-13-12-9-11(30(26,27)24-15-5-3-4-8-21-15)6-7-14(12)22-17(13)18(23-16)29-19(20)25/h3-10,22H,2H2,1H3,(H2,20,25)(H,21,24)
InChIKeySSRJTYZHUVBHHZ-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.77
Rot. Bonds6

About [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate

[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate (PubChem CID 54760731) has the molecular formula C19H17N5O5S and a molecular weight of 427.44 g/mol. Its IUPAC name is [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate.

Molecular Properties

Compound Name[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate
PubChem CID54760731
Molecular FormulaC19H17N5O5S
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC Name[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate
SMILESCCOc1cc2c([nH]c3ccc(S(=O)(=O)Nc4ccccn4)cc32)c(OC(N)=O)n1
InChIInChI=1S/C19H17N5O5S/c1-2-28-16-10-13-12-9-11(30(26,27)24-15-5-3-4-8-21-15)6-7-14(12)22-17(13)18(23-16)29-19(20)25/h3-10,22H,2H2,1H3,(H2,20,25)(H,21,24)
InChIKeySSRJTYZHUVBHHZ-UHFFFAOYSA-N
XLogP2.77
TPSA149.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate?
The IUPAC name of [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate (CID 54760731) is [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate.
What is the SMILES notation for [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate?
The canonical SMILES for [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate is CCOc1cc2c([nH]c3ccc(S(=O)(=O)Nc4ccccn4)cc32)c(OC(N)=O)n1.
What is the InChIKey of [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate?
The InChIKey is SSRJTYZHUVBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5S/c1-2-28-16-10-13-12-9-11(30(26,27)24-15-5-3-4-8-21-15)6-7-14(12)22-17(13)18(23-16)29-19(20)25/h3-10,22H,2H2,1H3,(H2,20,25)(H,21,24).
What are the key properties of [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate?
[3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate has a molecular weight of 427.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indol-1-yl] carbamate is sourced from PubChem (CID 54760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).