N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide

C20H22N6O5 — CID 59376224

IUPACN-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2ccn(CC3CN(c4ncc(C(=O)NO)cn4)CCO3)c2=O)cc1
InChIInChI=1S/C20H22N6O5/c1-30-16-4-2-15(3-5-16)26-7-6-25(20(26)28)13-17-12-24(8-9-31-17)19-21-10-14(11-22-19)18(27)23-29/h2-7,10-11,17,29H,8-9,12-13H2,1H3,(H,23,27)
InChIKeyXWDXXMCAGOKYRK-UHFFFAOYSA-N
MW426.43 g/mol
LogP0.46
Rot. Bonds6

About N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 59376224) has the molecular formula C20H22N6O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID59376224
Molecular FormulaC20H22N6O5
Molecular Weight426.43 g/mol
Exact Mass426.17
IUPAC NameN-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2ccn(CC3CN(c4ncc(C(=O)NO)cn4)CCO3)c2=O)cc1
InChIInChI=1S/C20H22N6O5/c1-30-16-4-2-15(3-5-16)26-7-6-25(20(26)28)13-17-12-24(8-9-31-17)19-21-10-14(11-22-19)18(27)23-29/h2-7,10-11,17,29H,8-9,12-13H2,1H3,(H,23,27)
InChIKeyXWDXXMCAGOKYRK-UHFFFAOYSA-N
XLogP0.46
TPSA123.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 59376181
N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 142804321
1-[(2-ethylmorpholin-4-yl)methyl]-3-(4-methoxyphenyl)imidazole-2-thione
CID 43054737
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-hydroxy-2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648343
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
S-ethyl 2-[2-(aminomethyl)morpholin-4-yl]pyrimidine-5-carbothioate
CID 143330598
4-ethyl-2-(4-methoxyphenyl)-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42836032
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 59376224) is N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is COc1ccc(-n2ccn(CC3CN(c4ncc(C(=O)NO)cn4)CCO3)c2=O)cc1.
What is the InChIKey of N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is XWDXXMCAGOKYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5/c1-30-16-4-2-15(3-5-16)26-7-6-25(20(26)28)13-17-12-24(8-9-31-17)19-21-10-14(11-22-19)18(27)23-29/h2-7,10-11,17,29H,8-9,12-13H2,1H3,(H,23,27).
What are the key properties of N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59376224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).