(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide

C22H24FN3O2 — CID 90715981

IUPAC(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)[C@H](CC1CCCCC1)n1cc2c(F)cccc2c1O
InChIInChI=1S/C22H24FN3O2/c23-18-10-6-9-16-17(18)14-26(22(16)28)19(13-15-7-2-1-3-8-15)21(27)25-20-11-4-5-12-24-20/h4-6,9-12,14-15,19,28H,1-3,7-8,13H2,(H,24,25,27)/t19-/m0/s1
InChIKeyATMJPCWDDOFWFT-IBGZPJMESA-N
MW381.45 g/mol
LogP5.03
Rot. Bonds5

About (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide

(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 90715981) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID90715981
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)[C@H](CC1CCCCC1)n1cc2c(F)cccc2c1O
InChIInChI=1S/C22H24FN3O2/c23-18-10-6-9-16-17(18)14-26(22(16)28)19(13-15-7-2-1-3-8-15)21(27)25-20-11-4-5-12-24-20/h4-6,9-12,14-15,19,28H,1-3,7-8,13H2,(H,24,25,27)/t19-/m0/s1
InChIKeyATMJPCWDDOFWFT-IBGZPJMESA-N
XLogP5.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide (CID 90715981) is (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide is O=C(Nc1ccccn1)[C@H](CC1CCCCC1)n1cc2c(F)cccc2c1O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is ATMJPCWDDOFWFT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-10-6-9-16-17(18)14-26(22(16)28)19(13-15-7-2-1-3-8-15)21(27)25-20-11-4-5-12-24-20/h4-6,9-12,14-15,19,28H,1-3,7-8,13H2,(H,24,25,27)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide?
(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 381.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 90715981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).