N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide

C20H26N6O4 — CID 73339872

IUPACN'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(OC)cc2)N1
InChIInChI=1S/C20H26N6O4/c1-4-14-10-17(27)24-20(22-14)26-16(9-12(2)25-26)23-19(29)18(28)21-11-13-5-7-15(30-3)8-6-13/h5-9,14,20,22H,4,10-11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27)
InChIKeySTYPPTVPPXMBBR-UHFFFAOYSA-N
MW414.47 g/mol
LogP0.80
Rot. Bonds6

About N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 73339872) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID73339872
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC NameN'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(OC)cc2)N1
InChIInChI=1S/C20H26N6O4/c1-4-14-10-17(27)24-20(22-14)26-16(9-12(2)25-26)23-19(29)18(28)21-11-13-5-7-15(30-3)8-6-13/h5-9,14,20,22H,4,10-11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27)
InChIKeySTYPPTVPPXMBBR-UHFFFAOYSA-N
XLogP0.80
TPSA126.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339901
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-2-fluoro-5-methylbenzamide
CID 172652755
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339912
2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 78714584
N-[(4-methoxyphenyl)methyl]-N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339996

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 73339872) is N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide is CCC1CC(=O)NC(n2nc(C)cc2NC(=O)C(=O)NCc2ccc(OC)cc2)N1.
What is the InChIKey of N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is STYPPTVPPXMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-4-14-10-17(27)24-20(22-14)26-16(9-12(2)25-26)23-19(29)18(28)21-11-13-5-7-15(30-3)8-6-13/h5-9,14,20,22H,4,10-11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27).
What are the key properties of N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 414.47 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 73339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).