6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

C24H26N4O3 — CID 127249660

IUPAC6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1ccc(Cc2ccc(C3CCCCN3C(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C24H26N4O3/c1-27-23(29)13-12-21(26-27)24(30)28-14-4-3-5-22(28)18-8-9-19(25-16-18)15-17-6-10-20(31-2)11-7-17/h6-13,16,22H,3-5,14-15H2,1-2H3
InChIKeyDTTOXEQJAQOHKG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.14
Rot. Bonds5

About 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one

6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 127249660) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID127249660
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1ccc(Cc2ccc(C3CCCCN3C(=O)c3ccc(=O)n(C)n3)cn2)cc1
InChIInChI=1S/C24H26N4O3/c1-27-23(29)13-12-21(26-27)24(30)28-14-4-3-5-22(28)18-8-9-19(25-16-18)15-17-6-10-20(31-2)11-7-17/h6-13,16,22H,3-5,14-15H2,1-2H3
InChIKeyDTTOXEQJAQOHKG-UHFFFAOYSA-N
XLogP3.14
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130702
6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 95042437
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 94080690
2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(thiadiazol-4-yl)methanone
CID 94645487
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
CID 127251981
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one (CID 127249660) is 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is COc1ccc(Cc2ccc(C3CCCCN3C(=O)c3ccc(=O)n(C)n3)cn2)cc1.
What is the InChIKey of 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is DTTOXEQJAQOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-27-23(29)13-12-21(26-27)24(30)28-14-4-3-5-22(28)18-8-9-19(25-16-18)15-17-6-10-20(31-2)11-7-17/h6-13,16,22H,3-5,14-15H2,1-2H3.
What are the key properties of 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[(4-methoxyphenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 127249660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).