ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide

C16H19N3O2 — CID 90796096

IUPACethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide
SMILESCC.CCn1c2cncc(O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C14H13N3O2.C2H6/c1-2-17-9-5-3-4-8(14(15)19)12(9)13-10(17)6-16-7-11(13)18;1-2/h3-7,18H,2H2,1H3,(H2,15,19);1-2H3
InChIKeyZFMOKADQDMCKEP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.04
Rot. Bonds2

About ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide

ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide (PubChem CID 90796096) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide.

Molecular Properties

Compound Nameethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide
PubChem CID90796096
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide
SMILESCC.CCn1c2cncc(O)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C14H13N3O2.C2H6/c1-2-17-9-5-3-4-8(14(15)19)12(9)13-10(17)6-16-7-11(13)18;1-2/h3-7,18H,2H2,1H3,(H2,15,19);1-2H3
InChIKeyZFMOKADQDMCKEP-UHFFFAOYSA-N
XLogP3.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide?
The IUPAC name of ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide (CID 90796096) is ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide.
What is the SMILES notation for ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide?
The canonical SMILES for ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide is CC.CCn1c2cncc(O)c2c2c(C(N)=O)cccc21.
What is the InChIKey of ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide?
The InChIKey is ZFMOKADQDMCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C2H6/c1-2-17-9-5-3-4-8(14(15)19)12(9)13-10(17)6-16-7-11(13)18;1-2/h3-7,18H,2H2,1H3,(H2,15,19);1-2H3.
What are the key properties of ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide?
ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-4-hydroxypyrido[3,4-b]indole-5-carboxamide is sourced from PubChem (CID 90796096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).