6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C16H20N4O2 — CID 71926805

IUPAC6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-13(15(21)17-10)16(22)20-7-3-4-12(9-20)14-8-11(2)18-19-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyIYQMEDAPOWCFAQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.73
Rot. Bonds2

About 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 71926805) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID71926805
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-13(15(21)17-10)16(22)20-7-3-4-12(9-20)14-8-11(2)18-19-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyIYQMEDAPOWCFAQ-UHFFFAOYSA-N
XLogP1.73
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 71926805) is 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n[nH]1.
What is the InChIKey of 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is IYQMEDAPOWCFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-6-13(15(21)17-10)16(22)20-7-3-4-12(9-20)14-8-11(2)18-19-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 71926805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).