N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide

C22H26N4O2 — CID 67218587

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc21
InChIInChI=1S/C22H26N4O2/c1-26-14-12-16-10-11-17(15-20(16)26)22(28)24-13-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23/h4-5,7-8,10-12,14-15H,2-3,6,9,13,23H2,1H3,(H,24,28)(H,25,27)
InChIKeyXVYCTMNUUFGBTG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.69
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide (PubChem CID 67218587) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
PubChem CID67218587
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc21
InChIInChI=1S/C22H26N4O2/c1-26-14-12-16-10-11-17(15-20(16)26)22(28)24-13-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23/h4-5,7-8,10-12,14-15H,2-3,6,9,13,23H2,1H3,(H,24,28)(H,25,27)
InChIKeyXVYCTMNUUFGBTG-UHFFFAOYSA-N
XLogP3.69
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-[6-(2-aminoanilino)-6-oxohexyl]-4-ethynylbenzamide
CID 137464662
N-[6-(2-aminoanilino)-6-oxohexyl]-1H-pyrrole-2-carboxamide
CID 45137576
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
CID 159145290
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
N-[6-(2-aminoanilino)-6-oxohexyl]-3-[4-(methylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 162514443
N-[6-(2-aminoanilino)-6-oxohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 45137892

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide (CID 67218587) is N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide is Cn1ccc2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc21.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide?
The InChIKey is XVYCTMNUUFGBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-26-14-12-16-10-11-17(15-20(16)26)22(28)24-13-6-2-3-9-21(27)25-19-8-5-4-7-18(19)23/h4-5,7-8,10-12,14-15H,2-3,6,9,13,23H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-1-methylindole-6-carboxamide is sourced from PubChem (CID 67218587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).