2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one

C16H18N4O2 — CID 74249642

IUPAC2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCCC2c2cccnc2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-19-15(21)8-7-13(18-19)16(22)20-10-3-2-6-14(20)12-5-4-9-17-11-12/h4-5,7-9,11,14H,2-3,6,10H2,1H3
InChIKeyGCJDMFTZSGOXQG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one

2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 74249642) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID74249642
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCCC2c2cccnc2)ccc1=O
InChIInChI=1S/C16H18N4O2/c1-19-15(21)8-7-13(18-19)16(22)20-10-3-2-6-14(20)12-5-4-9-17-11-12/h4-5,7-9,11,14H,2-3,6,10H2,1H3
InChIKeyGCJDMFTZSGOXQG-UHFFFAOYSA-N
XLogP1.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 127249660
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420181
5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
CID 166311536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one (CID 74249642) is 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one is Cn1nc(C(=O)N2CCCCC2c2cccnc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is GCJDMFTZSGOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-15(21)8-7-13(18-19)16(22)20-10-3-2-6-14(20)12-5-4-9-17-11-12/h4-5,7-9,11,14H,2-3,6,10H2,1H3.
What are the key properties of 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 298.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 74249642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).