6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide

C23H32N4O — CID 167790130

IUPAC6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide
SMILESCC(C)(C)NCCCCCC(=O)Nc1cccc2c1CN(c1ccccn1)C2
InChIInChI=1S/C23H32N4O/c1-23(2,3)25-15-7-4-5-13-22(28)26-20-11-9-10-18-16-27(17-19(18)20)21-12-6-8-14-24-21/h6,8-12,14,25H,4-5,7,13,15-17H2,1-3H3,(H,26,28)
InChIKeyPYKBHUAIXDIYPQ-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.49
Rot. Bonds8

About 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide

6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide (PubChem CID 167790130) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide
PubChem CID167790130
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide
SMILESCC(C)(C)NCCCCCC(=O)Nc1cccc2c1CN(c1ccccn1)C2
InChIInChI=1S/C23H32N4O/c1-23(2,3)25-15-7-4-5-13-22(28)26-20-11-9-10-18-16-27(17-19(18)20)21-12-6-8-14-24-21/h6,8-12,14,25H,4-5,7,13,15-17H2,1-3H3,(H,26,28)
InChIKeyPYKBHUAIXDIYPQ-UHFFFAOYSA-N
XLogP4.49
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 166185998
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
3-(tert-butylamino)-N-[2-(dimethylamino)-3-pyridinyl]propanamide
CID 60849579
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
(E)-3-[4-[(tert-butylamino)methyl]phenyl]-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 59768389
N-[2-(ethylaminomethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119438834
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
N-quinolin-8-ylundecanamide
CID 3567928
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
3-(tert-butylamino)-N-(1H-indazol-4-yl)propanamide
CID 54863202

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide?
The IUPAC name of 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide (CID 167790130) is 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide.
What is the SMILES notation for 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide?
The canonical SMILES for 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide is CC(C)(C)NCCCCCC(=O)Nc1cccc2c1CN(c1ccccn1)C2.
What is the InChIKey of 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide?
The InChIKey is PYKBHUAIXDIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-23(2,3)25-15-7-4-5-13-22(28)26-20-11-9-10-18-16-27(17-19(18)20)21-12-6-8-14-24-21/h6,8-12,14,25H,4-5,7,13,15-17H2,1-3H3,(H,26,28).
What are the key properties of 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide?
6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide has a molecular weight of 380.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)hexanamide is sourced from PubChem (CID 167790130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).