2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one

C19H25N3O3 — CID 97059361

IUPAC2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
SMILESCCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(=O)n(CC)n2)o1
InChIInChI=1S/C19H25N3O3/c1-4-14-6-8-17(25-14)16-12-13(3)10-11-21(16)19(24)15-7-9-18(23)22(5-2)20-15/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyWZIQNBJOCRJBHU-CZUORRHYSA-N
MW343.43 g/mol
LogP3.03
Rot. Bonds4

About 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one

2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one (PubChem CID 97059361) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
PubChem CID97059361
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one
SMILESCCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(=O)n(CC)n2)o1
InChIInChI=1S/C19H25N3O3/c1-4-14-6-8-17(25-14)16-12-13(3)10-11-21(16)19(24)15-7-9-18(23)22(5-2)20-15/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-,16-/m1/s1
InChIKeyWZIQNBJOCRJBHU-CZUORRHYSA-N
XLogP3.03
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 129378101
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
1-[2-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 129470143
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 71993139
1-[2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 138038114
1-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 71926194
1-[(2S,4S)-2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 97059346
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
5-bromo-2-[2-(5-ethylfuran-2-yl)-4-methylpiperidin-1-yl]pyrimidine
CID 133332634
2-methyl-6-[(3S)-3-(5-methylfuran-2-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 97071367
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 95739273

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one (CID 97059361) is 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one is CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(=O)n(CC)n2)o1.
What is the InChIKey of 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is WZIQNBJOCRJBHU-CZUORRHYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-14-6-8-17(25-14)16-12-13(3)10-11-21(16)19(24)15-7-9-18(23)22(5-2)20-15/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one?
2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 343.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2R,4R)-2-(5-ethylfuran-2-yl)-4-methylpiperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 97059361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).