N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C19H26N6O3 — CID 135954103

IUPACN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N6O3/c1-4-6-14-10-16(26)22-19(20-14)25-15(9-13(3)23-25)21-17(27)18(28)24-8-5-7-12(2)11-24/h9-10,12H,4-8,11H2,1-3H3,(H,21,27)(H,20,22,26)
InChIKeyYJTDUYXYVFSEDS-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.41
Rot. Bonds4

About N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 135954103) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID135954103
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C19H26N6O3/c1-4-6-14-10-16(26)22-19(20-14)25-15(9-13(3)23-25)21-17(27)18(28)24-8-5-7-12(2)11-24/h9-10,12H,4-8,11H2,1-3H3,(H,21,27)(H,20,22,26)
InChIKeyYJTDUYXYVFSEDS-UHFFFAOYSA-N
XLogP1.41
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 135954103) is N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)N2CCCC(C)C2)n1.
What is the InChIKey of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is YJTDUYXYVFSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-4-6-14-10-16(26)22-19(20-14)25-15(9-13(3)23-25)21-17(27)18(28)24-8-5-7-12(2)11-24/h9-10,12H,4-8,11H2,1-3H3,(H,21,27)(H,20,22,26).
What are the key properties of N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 386.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 135954103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).