2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide

C18H21N5O2 — CID 136663278

IUPAC2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
SMILESCc1nc(CC(=O)NCCCn2ncc3ccccc32)c(C)c(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c1-12-15(21-13(2)22-18(12)25)10-17(24)19-8-5-9-23-16-7-4-3-6-14(16)11-20-23/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKeyZOHRWVSITUWYBS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds6

About 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide

2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide (PubChem CID 136663278) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
PubChem CID136663278
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
SMILESCc1nc(CC(=O)NCCCn2ncc3ccccc32)c(C)c(=O)[nH]1
InChIInChI=1S/C18H21N5O2/c1-12-15(21-13(2)22-18(12)25)10-17(24)19-8-5-9-23-16-7-4-3-6-14(16)11-20-23/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKeyZOHRWVSITUWYBS-UHFFFAOYSA-N
XLogP1.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
CID 77092983
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 136663290
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959910
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843
N-(3-indazol-1-ylpropyl)-2-[1-(3-methylbut-2-enyl)-3-oxopiperazin-2-yl]acetamide
CID 45184719
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 121367715
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide (CID 136663278) is 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide is Cc1nc(CC(=O)NCCCn2ncc3ccccc32)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide?
The InChIKey is ZOHRWVSITUWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-15(21-13(2)22-18(12)25)10-17(24)19-8-5-9-23-16-7-4-3-6-14(16)11-20-23/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,24)(H,21,22,25).
What are the key properties of 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide?
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide is sourced from PubChem (CID 136663278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).