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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Related Compounds

6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
CID 123275947
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
3-(1-ethyl-9H-pyrido[3,4-b]indol-6-yl)benzamide
CID 57333983
3-(9-ethylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086417
(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915293
N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
CID 121363768
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623

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).