2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide

C24H34N6O2 — CID 174552646

IUPAC2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide
SMILESCNc1cc2c(n1-c1ccc(C(N)=O)c(NC3CCCCC3)c1)CC(NC)(NC)CC2=O
InChIInChI=1S/C24H34N6O2/c1-26-22-12-18-20(13-24(27-2,28-3)14-21(18)31)30(22)16-9-10-17(23(25)32)19(11-16)29-15-7-5-4-6-8-15/h9-12,15,26-29H,4-8,13-14H2,1-3H3,(H2,25,32)
InChIKeyNWFZIXCPFIQKPE-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.63
Rot. Bonds7

About 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide

2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide (PubChem CID 174552646) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide
PubChem CID174552646
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide
SMILESCNc1cc2c(n1-c1ccc(C(N)=O)c(NC3CCCCC3)c1)CC(NC)(NC)CC2=O
InChIInChI=1S/C24H34N6O2/c1-26-22-12-18-20(13-24(27-2,28-3)14-21(18)31)30(22)16-9-10-17(23(25)32)19(11-16)29-15-7-5-4-6-8-15/h9-12,15,26-29H,4-8,13-14H2,1-3H3,(H2,25,32)
InChIKeyNWFZIXCPFIQKPE-UHFFFAOYSA-N
XLogP2.63
TPSA113.21 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide?
The IUPAC name of 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide (CID 174552646) is 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide.
What is the SMILES notation for 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide?
The canonical SMILES for 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide is CNc1cc2c(n1-c1ccc(C(N)=O)c(NC3CCCCC3)c1)CC(NC)(NC)CC2=O.
What is the InChIKey of 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide?
The InChIKey is NWFZIXCPFIQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-26-22-12-18-20(13-24(27-2,28-3)14-21(18)31)30(22)16-9-10-17(23(25)32)19(11-16)29-15-7-5-4-6-8-15/h9-12,15,26-29H,4-8,13-14H2,1-3H3,(H2,25,32).
What are the key properties of 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide?
2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide has a molecular weight of 438.58 g/mol, XLogP of 2.63, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[2,6,6-tris(methylamino)-4-oxo-5,7-dihydroindol-1-yl]benzamide is sourced from PubChem (CID 174552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).