2-benzyl-3-ethyl-1-pyridin-4-ylindole

C22H20N2 — CID 173324072

IUPAC2-benzyl-3-ethyl-1-pyridin-4-ylindole
SMILESCCc1c(Cc2ccccc2)n(-c2ccncc2)c2ccccc12
InChIInChI=1S/C22H20N2/c1-2-19-20-10-6-7-11-21(20)24(18-12-14-23-15-13-18)22(19)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyUPEZZJIZDKWDFV-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.18
Rot. Bonds4

About 2-benzyl-3-ethyl-1-pyridin-4-ylindole

2-benzyl-3-ethyl-1-pyridin-4-ylindole (PubChem CID 173324072) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-benzyl-3-ethyl-1-pyridin-4-ylindole.

Molecular Properties

Compound Name2-benzyl-3-ethyl-1-pyridin-4-ylindole
PubChem CID173324072
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-benzyl-3-ethyl-1-pyridin-4-ylindole
SMILESCCc1c(Cc2ccccc2)n(-c2ccncc2)c2ccccc12
InChIInChI=1S/C22H20N2/c1-2-19-20-10-6-7-11-21(20)24(18-12-14-23-15-13-18)22(19)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyUPEZZJIZDKWDFV-UHFFFAOYSA-N
XLogP5.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-1-pyridin-4-ylindol-3-amine
CID 57168860
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
9-phenylcarbazole;pyridine
CID 158880805
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561
5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
(Z)-2-[1-[4-[[3,5-bis[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]methyl]phenyl]-3-propylindol-2-yl]ethenamine
CID 163966873
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
CID 143291588
11-ethylisoindolo[2,3-a]indol-6-one;N-methylmethanamine
CID 69309273
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 59413482

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyl-1-pyridin-4-ylindole?
The IUPAC name of 2-benzyl-3-ethyl-1-pyridin-4-ylindole (CID 173324072) is 2-benzyl-3-ethyl-1-pyridin-4-ylindole.
What is the SMILES notation for 2-benzyl-3-ethyl-1-pyridin-4-ylindole?
The canonical SMILES for 2-benzyl-3-ethyl-1-pyridin-4-ylindole is CCc1c(Cc2ccccc2)n(-c2ccncc2)c2ccccc12.
What is the InChIKey of 2-benzyl-3-ethyl-1-pyridin-4-ylindole?
The InChIKey is UPEZZJIZDKWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-2-19-20-10-6-7-11-21(20)24(18-12-14-23-15-13-18)22(19)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3.
What are the key properties of 2-benzyl-3-ethyl-1-pyridin-4-ylindole?
2-benzyl-3-ethyl-1-pyridin-4-ylindole has a molecular weight of 312.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyl-1-pyridin-4-ylindole is sourced from PubChem (CID 173324072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).