2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide

C23H25N3O3 — CID 134017566

IUPAC2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H25N3O3/c1-25(14-12-17-7-5-6-13-24-17)21(27)16-10-11-19-20(15-16)23(29)26(22(19)28)18-8-3-2-4-9-18/h5-7,10-11,13,15,18H,2-4,8-9,12,14H2,1H3
InChIKeyNGRRLDNTGDDGLU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.33
Rot. Bonds5

About 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide

2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide (PubChem CID 134017566) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
PubChem CID134017566
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C23H25N3O3/c1-25(14-12-17-7-5-6-13-24-17)21(27)16-10-11-19-20(15-16)23(29)26(22(19)28)18-8-3-2-4-9-18/h5-7,10-11,13,15,18H,2-4,8-9,12,14H2,1H3
InChIKeyNGRRLDNTGDDGLU-UHFFFAOYSA-N
XLogP3.33
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-ylmethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 43008844
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 2639465
N-(2-cyanoethyl)-2-cyclohexyl-N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56572716

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide (CID 134017566) is 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide is CN(CCc1ccccn1)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide?
The InChIKey is NGRRLDNTGDDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25(14-12-17-7-5-6-13-24-17)21(27)16-10-11-19-20(15-16)23(29)26(22(19)28)18-8-3-2-4-9-18/h5-7,10-11,13,15,18H,2-4,8-9,12,14H2,1H3.
What are the key properties of 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide?
2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-methyl-1,3-dioxo-N-(2-pyridin-2-ylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 134017566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).