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

C20H26N6O4 — CID 73339846

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2C2NC(=O)CC(C)N2)cc1
InChIInChI=1S/C20H26N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10,12,20,22H,8-9,11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27)
InChIKeyBMLKFZRRXNBVNP-UHFFFAOYSA-N
MW414.47 g/mol
LogP0.45
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (PubChem CID 73339846) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
PubChem CID73339846
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2C2NC(=O)CC(C)N2)cc1
InChIInChI=1S/C20H26N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10,12,20,22H,8-9,11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27)
InChIKeyBMLKFZRRXNBVNP-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954067
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339901
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 136641392
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
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 74908550
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56781739
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide (CID 73339846) is N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2C2NC(=O)CC(C)N2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is BMLKFZRRXNBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10,12,20,22H,8-9,11H2,1-3H3,(H,21,28)(H,23,29)(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 414.47 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 73339846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).