2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

C14H21N3O3 — CID 47020029

IUPAC2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCCC2C)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-11-5-3-4-8-16(11)14(19)12-6-7-13(18)17(15-12)9-10-20-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyFUXPZOLLEWYMJV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.90
Rot. Bonds4

About 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 47020029) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID47020029
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCCC2C)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-11-5-3-4-8-16(11)14(19)12-6-7-13(18)17(15-12)9-10-20-2/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyFUXPZOLLEWYMJV-UHFFFAOYSA-N
XLogP0.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 51145418
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56807823
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 95579844
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
(4R)-3-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145277
6-[(2R)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014405
6-[(2S)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014406
N-(4-cyclopentylsulfanylphenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 37400276
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 47020029) is 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is COCCn1nc(C(=O)N2CCCCC2C)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is FUXPZOLLEWYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-5-3-4-8-16(11)14(19)12-6-7-13(18)17(15-12)9-10-20-2/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 47020029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).