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

C19H23N5O2 — CID 77092983

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-13-16(14(2)23-19(26)22-13)8-9-18(25)20-10-5-11-24-17-7-4-3-6-15(17)12-21-24/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,25)(H,22,23,26)
InChIKeyWCHQNXBLXNMYNQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.88
Rot. Bonds7

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

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide (PubChem CID 77092983) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
PubChem CID77092983
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C19H23N5O2/c1-13-16(14(2)23-19(26)22-13)8-9-18(25)20-10-5-11-24-17-7-4-3-6-15(17)12-21-24/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,25)(H,22,23,26)
InChIKeyWCHQNXBLXNMYNQ-UHFFFAOYSA-N
XLogP1.88
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.88
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

N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
2-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 136663278
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 131939568
N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 71914392
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 90647550
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
CID 118777156

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide (CID 77092983) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCCn1ncc2ccccc21.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide?
The InChIKey is WCHQNXBLXNMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-16(14(2)23-19(26)22-13)8-9-18(25)20-10-5-11-24-17-7-4-3-6-15(17)12-21-24/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,25)(H,22,23,26).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-indazol-1-ylpropyl)propanamide is sourced from PubChem (CID 77092983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).