2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

C11H16N4O2 — CID 106740728

IUPAC2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(=O)[nH]n2)CCN1
InChIInChI=1S/C11H16N4O2/c1-7-6-8(4-5-12-7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyKJUZKZGKKPTDRC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.10
Rot. Bonds2

About 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 106740728) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID106740728
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(=O)[nH]n2)CCN1
InChIInChI=1S/C11H16N4O2/c1-7-6-8(4-5-12-7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyKJUZKZGKKPTDRC-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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Related Compounds

1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71795320
1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 71795289
3-[4-(piperazine-1-carbonyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 69249811
1-(1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-yl)-piperidine-4-carboxylic acid (2-amino-ethyl)-amide hydrochloride
CID 86622553
N-(2-aminoethyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 86622554
N-ethyl-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 90883841
(3S)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313994
(3R)-3-methyl-2-(1-methyl-6-oxopyridazin-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 121313998
2-(1-Methyl-6-oxopyridazin-3-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 130465563
N-[(1S,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 97040599
N-[(1S,2S)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 97040600
N-[(1R,2R)-2-methylcyclohexyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-4-carboxamide
CID 97040601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (CID 106740728) is 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is CC1CC(C(=O)Nc2ccc(=O)[nH]n2)CCN1.
What is the InChIKey of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is KJUZKZGKKPTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-6-8(4-5-12-7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-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 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 106740728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).