N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide

C22H24N4O3 — CID 108799768

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C22H24N4O3/c1-13-11-14(2)24-22(23-13)25-19(27)16-8-4-3-7-15(16)12-26-20(28)17-9-5-6-10-18(17)21(26)29/h5-6,9-11,15-16H,3-4,7-8,12H2,1-2H3,(H,23,24,25,27)
InChIKeyNQDYBGKFQQMSSM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.13
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 108799768) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID108799768
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C22H24N4O3/c1-13-11-14(2)24-22(23-13)25-19(27)16-8-4-3-7-15(16)12-26-20(28)17-9-5-6-10-18(17)21(26)29/h5-6,9-11,15-16H,3-4,7-8,12H2,1-2H3,(H,23,24,25,27)
InChIKeyNQDYBGKFQQMSSM-UHFFFAOYSA-N
XLogP3.13
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799859
N-(3,4-dimethylphenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786922
N-(4-bromo-2-methylphenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799774
methyl 2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108799846
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 108799794
N-[4-(dimethylamino)phenyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786884
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 108799856
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108799844
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 108786935
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 108799815
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 108786916
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)cyclohexane-1-carboxamide
CID 108727927

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide (CID 108799768) is N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide is Cc1cc(C)nc(NC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NQDYBGKFQQMSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-11-14(2)24-22(23-13)25-19(27)16-8-4-3-7-15(16)12-26-20(28)17-9-5-6-10-18(17)21(26)29/h5-6,9-11,15-16H,3-4,7-8,12H2,1-2H3,(H,23,24,25,27).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 108799768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).