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

C18H26N6O4 — CID 136641370

IUPACN-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C18H26N6O4/c1-5-13-12(4)20-18(22-15(13)25)24-14(10-11(3)23-24)21-17(27)16(26)19-8-7-9-28-6-2/h10H,5-9H2,1-4H3,(H,19,26)(H,21,27)(H,20,22,25)
InChIKeyRBJHEXHNBDZRKT-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.62
Rot. Bonds8

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

N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide (PubChem CID 136641370) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
PubChem CID136641370
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(CC)c(=O)[nH]1
InChIInChI=1S/C18H26N6O4/c1-5-13-12(4)20-18(22-15(13)25)24-14(10-11(3)23-24)21-17(27)16(26)19-8-7-9-28-6-2/h10H,5-9H2,1-4H3,(H,19,26)(H,21,27)(H,20,22,25)
InChIKeyRBJHEXHNBDZRKT-UHFFFAOYSA-N
XLogP0.62
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide?
The IUPAC name of N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide (CID 136641370) is N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide is CCOCCCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(CC)c(=O)[nH]1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide?
The InChIKey is RBJHEXHNBDZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-5-13-12(4)20-18(22-15(13)25)24-14(10-11(3)23-24)21-17(27)16(26)19-8-7-9-28-6-2/h10H,5-9H2,1-4H3,(H,19,26)(H,21,27)(H,20,22,25).
What are the key properties of N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide?
N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide has a molecular weight of 390.44 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide is sourced from PubChem (CID 136641370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).