3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide

C20H17N3O — CID 57333983

IUPAC3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
SMILESCCc1nccc2c1[nH]c1ccc(-c3cccc(C(N)=O)c3)cc12
InChIInChI=1S/C20H17N3O/c1-2-17-19-15(8-9-22-17)16-11-13(6-7-18(16)23-19)12-4-3-5-14(10-12)20(21)24/h3-11,23H,2H2,1H3,(H2,21,24)
InChIKeyFAJXIAGONGCFAA-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.04
Rot. Bonds3

About 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide

3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide (PubChem CID 57333983) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide.

Molecular Properties

Compound Name3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
PubChem CID57333983
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
SMILESCCc1nccc2c1[nH]c1ccc(-c3cccc(C(N)=O)c3)cc12
InChIInChI=1S/C20H17N3O/c1-2-17-19-15(8-9-22-17)16-11-13(6-7-18(16)23-19)12-4-3-5-14(10-12)20(21)24/h3-11,23H,2H2,1H3,(H2,21,24)
InChIKeyFAJXIAGONGCFAA-UHFFFAOYSA-N
XLogP4.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The IUPAC name of 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide (CID 57333983) is 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide.
What is the SMILES notation for 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The canonical SMILES for 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide is CCc1nccc2c1[nH]c1ccc(-c3cccc(C(N)=O)c3)cc12.
What is the InChIKey of 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
The InChIKey is FAJXIAGONGCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-17-19-15(8-9-22-17)16-11-13(6-7-18(16)23-19)12-4-3-5-14(10-12)20(21)24/h3-11,23H,2H2,1H3,(H2,21,24).
What are the key properties of 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide?
3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide is sourced from PubChem (CID 57333983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).