4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile

C15H17N3O — CID 115149980

IUPAC4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H17N3O/c16-9-10-1-3-12(4-2-10)17-13-5-6-14-11(7-13)8-15(19)18-14/h5-7,10,12,17H,1-4,8H2,(H,18,19)
InChIKeyHRDQNPAAOVCBAC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds2

About 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile

4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 115149980) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
PubChem CID115149980
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(Nc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C15H17N3O/c16-9-10-1-3-12(4-2-10)17-13-5-6-14-11(7-13)8-15(19)18-14/h5-7,10,12,17H,1-4,8H2,(H,18,19)
InChIKeyHRDQNPAAOVCBAC-UHFFFAOYSA-N
XLogP2.68
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile 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

2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
N-[4-(cyclohexylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112980793
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
4-(4-methylsulfanylanilino)cyclohexane-1-carbonitrile
CID 115150003
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65083527
6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-2-carbonitrile
CID 133392551
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
CID 45244761
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile (CID 115149980) is 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile is N#CC1CCC(Nc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is HRDQNPAAOVCBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-9-10-1-3-12(4-2-10)17-13-5-6-14-11(7-13)8-15(19)18-14/h5-7,10,12,17H,1-4,8H2,(H,18,19).
What are the key properties of 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile?
4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-dihydroindol-5-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115149980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).