(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide

C22H24ClN3O2 — CID 67484164

IUPAC(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
SMILESO=C1C=CC2=CN([C@@H](CC3CCCCC3)C(=O)Nc3ccccn3)CC2=C1Cl
InChIInChI=1S/C22H24ClN3O2/c23-21-17-14-26(13-16(17)9-10-19(21)27)18(12-15-6-2-1-3-7-15)22(28)25-20-8-4-5-11-24-20/h4-5,8-11,13,15,18H,1-3,6-7,12,14H2,(H,24,25,28)/t18-/m0/s1
InChIKeyCDLMAHDFVZZAMO-SFHVURJKSA-N
MW397.91 g/mol
LogP4.19
Rot. Bonds5

About (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide

(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide (PubChem CID 67484164) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
PubChem CID67484164
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
SMILESO=C1C=CC2=CN([C@@H](CC3CCCCC3)C(=O)Nc3ccccn3)CC2=C1Cl
InChIInChI=1S/C22H24ClN3O2/c23-21-17-14-26(13-16(17)9-10-19(21)27)18(12-15-6-2-1-3-7-15)22(28)25-20-8-4-5-11-24-20/h4-5,8-11,13,15,18H,1-3,6-7,12,14H2,(H,24,25,28)/t18-/m0/s1
InChIKeyCDLMAHDFVZZAMO-SFHVURJKSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 10224339
(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
CID 24745493
(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 91254966
3-cyclopentyl-2-(6-methyl-2-oxo-3H-indol-1-yl)-N-pyridin-2-ylpropanamide
CID 67774103
2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
CID 67774452
(2S)-3-cyclopentyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylpropanamide
CID 44628971
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
CID 46651712
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-pyrazin-2-ylpropanamide;hydrochloride
CID 67503774
2-(4-chlorophenyl)-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
CID 59097009
3-cycloheptyl-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 10271316
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-oxo-6,7a-dihydro-1H-isoindol-2-yl)propanamide
CID 87417610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide (CID 67484164) is (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide is O=C1C=CC2=CN([C@@H](CC3CCCCC3)C(=O)Nc3ccccn3)CC2=C1Cl.
What is the InChIKey of (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide?
The InChIKey is CDLMAHDFVZZAMO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-21-17-14-26(13-16(17)9-10-19(21)27)18(12-15-6-2-1-3-7-15)22(28)25-20-8-4-5-11-24-20/h4-5,8-11,13,15,18H,1-3,6-7,12,14H2,(H,24,25,28)/t18-/m0/s1.
What are the key properties of (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide?
(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide has a molecular weight of 397.91 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 67484164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).