N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

C23H27N3O2 — CID 42789358

IUPACN-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)N(Cc1cccnc1)CC1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(17-26-16-20-10-4-5-11-21(20)23(26)28)25(14-18-7-2-1-3-8-18)15-19-9-6-12-24-13-19/h4-6,9-13,18H,1-3,7-8,14-17H2
InChIKeyKSYBVYCJDYXMNZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.65
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide

N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42789358) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42789358
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)N(Cc1cccnc1)CC1CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(17-26-16-20-10-4-5-11-21(20)23(26)28)25(14-18-7-2-1-3-8-18)15-19-9-6-12-24-13-19/h4-6,9-13,18H,1-3,7-8,14-17H2
InChIKeyKSYBVYCJDYXMNZ-UHFFFAOYSA-N
XLogP3.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1H-isoindol-2-yl)-N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42796396
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-cyclohexyl-N-(pyridin-3-ylmethyl)acetamide
CID 18557463
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenylpropyl)-N-(quinolin-3-ylmethyl)acetamide
CID 5072389
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129339827
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
2-[4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butyl]-3H-isoindol-1-one
CID 162873418
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 42789358) is N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1Cc2ccccc2C1=O)N(Cc1cccnc1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is KSYBVYCJDYXMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(17-26-16-20-10-4-5-11-21(20)23(26)28)25(14-18-7-2-1-3-8-18)15-19-9-6-12-24-13-19/h4-6,9-13,18H,1-3,7-8,14-17H2.
What are the key properties of N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42789358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).