N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C26H27N3O5 — CID 55725072

IUPACN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)[nH]c2c1OC
InChIInChI=1S/C26H27N3O5/c1-15-6-7-16(2)20(10-15)34-23-9-8-17(13-27-23)14-28-26(30)19-11-18-21(31-3)12-22(32-4)25(33-5)24(18)29-19/h6-13,29H,14H2,1-5H3,(H,28,30)
InChIKeyNJUDOLVOIGDKIG-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.93
Rot. Bonds8

About N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 55725072) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID55725072
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)[nH]c2c1OC
InChIInChI=1S/C26H27N3O5/c1-15-6-7-16(2)20(10-15)34-23-9-8-17(13-27-23)14-28-26(30)19-11-18-21(31-3)12-22(32-4)25(33-5)24(18)29-19/h6-13,29H,14H2,1-5H3,(H,28,30)
InChIKeyNJUDOLVOIGDKIG-UHFFFAOYSA-N
XLogP4.93
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436
4-(2-amino-2-oxoethoxy)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 55713703
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 154843635
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39970249
4,6,7-trimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55869036
4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 71922134
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398
(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46478525
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 55725072) is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)[nH]c2c1OC.
What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is NJUDOLVOIGDKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-15-6-7-16(2)20(10-15)34-23-9-8-17(13-27-23)14-28-26(30)19-11-18-21(31-3)12-22(32-4)25(33-5)24(18)29-19/h6-13,29H,14H2,1-5H3,(H,28,30).
What are the key properties of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 55725072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).