N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide

C19H24N8O3 — CID 136641378

IUPACN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCn2ccnc2)[nH]c1=O
InChIInChI=1S/C19H24N8O3/c1-4-14-13(3)22-19(24-16(14)28)27-15(10-12(2)25-27)23-18(30)17(29)21-6-5-8-26-9-7-20-11-26/h7,9-11H,4-6,8H2,1-3H3,(H,21,29)(H,23,30)(H,22,24,28)
InChIKeyAACLILAHDVPRHU-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.48
Rot. Bonds7

About N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide

N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 136641378) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID136641378
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCn2ccnc2)[nH]c1=O
InChIInChI=1S/C19H24N8O3/c1-4-14-13(3)22-19(24-16(14)28)27-15(10-12(2)25-27)23-18(30)17(29)21-6-5-8-26-9-7-20-11-26/h7,9-11H,4-6,8H2,1-3H3,(H,21,29)(H,23,30)(H,22,24,28)
InChIKeyAACLILAHDVPRHU-UHFFFAOYSA-N
XLogP0.48
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 136641370
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551621
ethyl N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 135551754
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 136636542
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 136636820
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 42536590
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641293
(E)-N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135928105
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide (CID 136641378) is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCn2ccnc2)[nH]c1=O.
What is the InChIKey of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is AACLILAHDVPRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O3/c1-4-14-13(3)22-19(24-16(14)28)27-15(10-12(2)25-27)23-18(30)17(29)21-6-5-8-26-9-7-20-11-26/h7,9-11H,4-6,8H2,1-3H3,(H,21,29)(H,23,30)(H,22,24,28).
What are the key properties of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide?
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 412.45 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 136641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).