3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

C23H25N3O — CID 130201615

IUPAC3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2C1CCC(O)CC1
InChIInChI=1S/C23H25N3O/c1-14-10-23-20(11-16(14)12-24)21(19-4-3-5-22(25)15(19)2)13-26(23)17-6-8-18(27)9-7-17/h3-5,10-11,13,17-18,27H,6-9,25H2,1-2H3
InChIKeyOYAVBDAJSOIJJO-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.86
Rot. Bonds2

About 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile

3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (PubChem CID 130201615) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
PubChem CID130201615
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2C1CCC(O)CC1
InChIInChI=1S/C23H25N3O/c1-14-10-23-20(11-16(14)12-24)21(19-4-3-5-22(25)15(19)2)13-26(23)17-6-8-18(27)9-7-17/h3-5,10-11,13,17-18,27H,6-9,25H2,1-2H3
InChIKeyOYAVBDAJSOIJJO-UHFFFAOYSA-N
XLogP4.86
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile (CID 130201615) is 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc(N)c1C)cn2C1CCC(O)CC1.
What is the InChIKey of 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
The InChIKey is OYAVBDAJSOIJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14-10-23-20(11-16(14)12-24)21(19-4-3-5-22(25)15(19)2)13-26(23)17-6-8-18(27)9-7-17/h3-5,10-11,13,17-18,27H,6-9,25H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile?
3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile has a molecular weight of 359.47 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylphenyl)-1-(4-hydroxycyclohexyl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 130201615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).