1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide

C26H23N3O3 — CID 10906011

IUPAC1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)NCCc1ccc(O)cc1)n2Cc1cccc(C#N)c1
InChIInChI=1S/C26H23N3O3/c1-32-25-7-3-6-23-22(25)15-24(29(23)17-20-5-2-4-19(14-20)16-27)26(31)28-13-12-18-8-10-21(30)11-9-18/h2-11,14-15,30H,12-13,17H2,1H3,(H,28,31)
InChIKeyFCGXWZIWFULUBM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.25
Rot. Bonds7

About 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide

1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide (PubChem CID 10906011) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
PubChem CID10906011
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)NCCc1ccc(O)cc1)n2Cc1cccc(C#N)c1
InChIInChI=1S/C26H23N3O3/c1-32-25-7-3-6-23-22(25)15-24(29(23)17-20-5-2-4-19(14-20)16-27)26(31)28-13-12-18-8-10-21(30)11-9-18/h2-11,14-15,30H,12-13,17H2,1H3,(H,28,31)
InChIKeyFCGXWZIWFULUBM-UHFFFAOYSA-N
XLogP4.25
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-cyanophenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetate
CID 11103488
1-[(3-carbamimidoylphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
CID 11091496
[4-[[[1-[(3-cyanophenyl)methyl]-4-methylindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 11038924
1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
CID 10950077
ethyl 1-[(3-cyanophenyl)methyl]-4-hydroxyindole-2-carboxylate
CID 54202309
1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetate
CID 10940660
3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
CID 110787410
N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide
CID 10949866
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-cyanobenzamide
CID 110787591
3-[2-(4-hydroxyphenyl)ethyl]benzonitrile
CID 46195954
N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide (CID 10906011) is 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide is COc1cccc2c1cc(C(=O)NCCc1ccc(O)cc1)n2Cc1cccc(C#N)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide?
The InChIKey is FCGXWZIWFULUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-25-7-3-6-23-22(25)15-24(29(23)17-20-5-2-4-19(14-20)16-27)26(31)28-13-12-18-8-10-21(30)11-9-18/h2-11,14-15,30H,12-13,17H2,1H3,(H,28,31).
What are the key properties of 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide?
1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide is sourced from PubChem (CID 10906011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).