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

C21H24N6O4 — CID 135954184

IUPACN'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C21H24N6O4/c1-12-11-17(27(26-12)21-23-14(3)13(2)18(28)25-21)24-20(30)19(29)22-10-9-15-7-5-6-8-16(15)31-4/h5-8,11H,9-10H2,1-4H3,(H,22,29)(H,24,30)(H,23,25,28)
InChIKeyIHMAEDURDLLXGX-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.19
Rot. Bonds6

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

N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 135954184) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID135954184
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC NameN'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C21H24N6O4/c1-12-11-17(27(26-12)21-23-14(3)13(2)18(28)25-21)24-20(30)19(29)22-10-9-15-7-5-6-8-16(15)31-4/h5-8,11H,9-10H2,1-4H3,(H,22,29)(H,24,30)(H,23,25,28)
InChIKeyIHMAEDURDLLXGX-UHFFFAOYSA-N
XLogP1.19
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 135551553
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641448
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954067
N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 136641370
2,5-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551527
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 135949176
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
2-(3,4-dimethoxyphenyl)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 135881093
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 135892174
N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 135954184) is N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is IHMAEDURDLLXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-12-11-17(27(26-12)21-23-14(3)13(2)18(28)25-21)24-20(30)19(29)22-10-9-15-7-5-6-8-16(15)31-4/h5-8,11H,9-10H2,1-4H3,(H,22,29)(H,24,30)(H,23,25,28).
What are the key properties of N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 424.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 135954184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).