3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide

C20H17N3O — CID 67511923

IUPAC3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide
SMILESCCn1c2ccc(-c3cccc(C(N)=O)c3)cc2c2ccncc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-7-6-14(13-4-3-5-15(10-13)20(21)24)11-17(18)16-8-9-22-12-19(16)23/h3-12H,2H2,1H3,(H2,21,24)
InChIKeyMKMDZVRLPCCMPR-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.98
Rot. Bonds3

About 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide

3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide (PubChem CID 67511923) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide.

Molecular Properties

Compound Name3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide
PubChem CID67511923
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide
SMILESCCn1c2ccc(-c3cccc(C(N)=O)c3)cc2c2ccncc21
InChIInChI=1S/C20H17N3O/c1-2-23-18-7-6-14(13-4-3-5-15(10-13)20(21)24)11-17(18)16-8-9-22-12-19(16)23/h3-12H,2H2,1H3,(H2,21,24)
InChIKeyMKMDZVRLPCCMPR-UHFFFAOYSA-N
XLogP3.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide?
The IUPAC name of 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide (CID 67511923) is 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide.
What is the SMILES notation for 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide?
The canonical SMILES for 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide is CCn1c2ccc(-c3cccc(C(N)=O)c3)cc2c2ccncc21.
What is the InChIKey of 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide?
The InChIKey is MKMDZVRLPCCMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-23-18-7-6-14(13-4-3-5-15(10-13)20(21)24)11-17(18)16-8-9-22-12-19(16)23/h3-12H,2H2,1H3,(H2,21,24).
What are the key properties of 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide?
3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide is sourced from PubChem (CID 67511923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).