2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile

C21H21N5O2 — CID 143184378

IUPAC2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(Cc2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H21N5O2/c1-3-26-20(19(14-22)18-9-8-17(27-2)13-21(18)26)12-15-4-6-16(7-5-15)28-11-10-24-25-23/h4-9,13H,3,10-12H2,1-2H3
InChIKeyMGIXKIDPSVEZEX-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.82
Rot. Bonds8

About 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile

2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 143184378) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID143184378
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(Cc2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C21H21N5O2/c1-3-26-20(19(14-22)18-9-8-17(27-2)13-21(18)26)12-15-4-6-16(7-5-15)28-11-10-24-25-23/h4-9,13H,3,10-12H2,1-2H3
InChIKeyMGIXKIDPSVEZEX-UHFFFAOYSA-N
XLogP4.82
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile
CID 58694494
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
CID 58694155
1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
CID 104708216
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
1-(2-chloroethyl)-3-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea
CID 58694440
2-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-1-ethyl-6-methoxyindole-3-carbonitrile
CID 143511248
1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile (CID 143184378) is 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(Cc2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is MGIXKIDPSVEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-26-20(19(14-22)18-9-8-17(27-2)13-21(18)26)12-15-4-6-16(7-5-15)28-11-10-24-25-23/h4-9,13H,3,10-12H2,1-2H3.
What are the key properties of 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile?
2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-azidoethoxy)phenyl]methyl]-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 143184378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).