N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide

C26H29N3O2 — CID 123299118

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1)C1CCc2ncccc21
InChIInChI=1S/C26H29N3O2/c1-29(24-14-13-23-22(24)8-5-16-28-23)26(31)21-11-9-19(10-12-21)15-17-27-18-25(30)20-6-3-2-4-7-20/h2-12,16,24-25,27,30H,13-15,17-18H2,1H3
InChIKeyJPIFROMUAYJUOA-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.71
Rot. Bonds8

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide (PubChem CID 123299118) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
PubChem CID123299118
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1)C1CCc2ncccc21
InChIInChI=1S/C26H29N3O2/c1-29(24-14-13-23-22(24)8-5-16-28-23)26(31)21-11-9-19(10-12-21)15-17-27-18-25(30)20-6-3-2-4-7-20/h2-12,16,24-25,27,30H,13-15,17-18H2,1H3
InChIKeyJPIFROMUAYJUOA-UHFFFAOYSA-N
XLogP3.71
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.71
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

4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]benzoic acid
CID 44560791
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
N-(4-tert-butylphenyl)-4-(3-(hydroxymethyl)pyridin-2-yl)benzamide
CID 44417075
(R)-Phenyl[(2R,5S)-5-(4-{[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonyl}benzyl)pyrrolidin-2-yl]methanol
CID 67972431
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 156646561
Hydroxyethylamine-based inhibitor 11d
CID 6539264
(2S)-N-[(2S,3S)-4-{[(1R)-1-carbamoyl-2-phenylethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-(pyridin-2-ylformamido)butanamide
CID 6539265
Hydroxylethylamine scaffold 98
CID 6539342
CID 386231
CID 386231
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-16-pyridin-1-ium-1-ylhexadecanamide bromide
CID 11512281
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-16-pyridin-1-ium-1-ylhexadecanamide bromide
CID 11713683
2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 11794901

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide (CID 123299118) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide is CN(C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1)C1CCc2ncccc21.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
The InChIKey is JPIFROMUAYJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-29(24-14-13-23-22(24)8-5-16-28-23)26(31)21-11-9-19(10-12-21)15-17-27-18-25(30)20-6-3-2-4-7-20/h2-12,16,24-25,27,30H,13-15,17-18H2,1H3.
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 123299118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).