3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide

C11H16N4O2 — CID 107068638

IUPAC3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-7-3-2-6-12-10(7)11(17)13-8-4-5-9(16)15-14-8/h4-5,7,10,12H,2-3,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyNGHNSMOFANPMSF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.10
Rot. Bonds2

About 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide

3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide (PubChem CID 107068638) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide
PubChem CID107068638
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-7-3-2-6-12-10(7)11(17)13-8-4-5-9(16)15-14-8/h4-5,7,10,12H,2-3,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyNGHNSMOFANPMSF-UHFFFAOYSA-N
XLogP0.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide (CID 107068638) is 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide?
The InChIKey is NGHNSMOFANPMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-3-2-6-12-10(7)11(17)13-8-4-5-9(16)15-14-8/h4-5,7,10,12H,2-3,6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide?
3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 107068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).