1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide

C28H21N3O2 — CID 10950077

IUPAC1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)cc3c(O)cccc32)c1
InChIInChI=1S/C28H21N3O2/c29-16-19-6-3-7-20(14-19)18-31-25-12-5-13-27(32)24(25)15-26(31)28(33)30-17-22-10-4-9-21-8-1-2-11-23(21)22/h1-15,32H,17-18H2,(H,30,33)
InChIKeyIFAAEEJNEHTQLW-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.35
Rot. Bonds5

About 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide

1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide (PubChem CID 10950077) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
PubChem CID10950077
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
SMILESN#Cc1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)cc3c(O)cccc32)c1
InChIInChI=1S/C28H21N3O2/c29-16-19-6-3-7-20(14-19)18-31-25-12-5-13-27(32)24(25)15-26(31)28(33)30-17-22-10-4-9-21-8-1-2-11-23(21)22/h1-15,32H,17-18H2,(H,30,33)
InChIKeyIFAAEEJNEHTQLW-UHFFFAOYSA-N
XLogP5.35
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[[1-[(3-cyanophenyl)methyl]-4-methylindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium
CID 11038924
ethyl 1-[(3-cyanophenyl)methyl]-4-hydroxyindole-2-carboxylate
CID 54202309
N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide
CID 10949866
1-[(3-cyanophenyl)methyl]indole-2-carboxamide
CID 11832625
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 54425705
1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(pyren-1-ylmethyl)indole-2-carboxamide
CID 10918387
1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
CID 10906011
1-[(3-cyanophenyl)methyl]-3-methyl-N-[(1-methylpyridin-1-ium-4-yl)methyl]indole-2-carboxamide
CID 10994788
[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium
CID 11734475
[4-[[[5-chloro-1-[(3-cyanophenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 11734499
[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium iodide
CID 18327657
1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethylphenyl)methyl]-4-hydroxyindole-2-carboxamide
CID 10071127

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide (CID 10950077) is 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide is N#Cc1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)cc3c(O)cccc32)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The InChIKey is IFAAEEJNEHTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c29-16-19-6-3-7-20(14-19)18-31-25-12-5-13-27(32)24(25)15-26(31)28(33)30-17-22-10-4-9-21-8-1-2-11-23(21)22/h1-15,32H,17-18H2,(H,30,33).
What are the key properties of 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide?
1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-4-hydroxy-N-(naphthalen-1-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 10950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).