2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one

C16H18N4O3 — CID 121017957

IUPAC2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ccncc3)C2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-19-15(21)5-4-14(18-19)16(22)20-10-2-3-13(11-20)23-12-6-8-17-9-7-12/h4-9,13H,2-3,10-11H2,1H3
InChIKeyNSFBQFRWZXPKID-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.86
Rot. Bonds3

About 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one

2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 121017957) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
PubChem CID121017957
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC(Oc3ccncc3)C2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-19-15(21)5-4-14(18-19)16(22)20-10-2-3-13(11-20)23-12-6-8-17-9-7-12/h4-9,13H,2-3,10-11H2,1H3
InChIKeyNSFBQFRWZXPKID-UHFFFAOYSA-N
XLogP0.86
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3,4-dichlorophenoxy)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 154841006
3-[(3R)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100648935
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100754469
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
N-[4-(3-pyridin-4-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 119100706
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
6-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121197470
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126852374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one (CID 121017957) is 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one is Cn1nc(C(=O)N2CCCC(Oc3ccncc3)C2)ccc1=O.
What is the InChIKey of 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is NSFBQFRWZXPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-15(21)5-4-14(18-19)16(22)20-10-2-3-13(11-20)23-12-6-8-17-9-7-12/h4-9,13H,2-3,10-11H2,1H3.
What are the key properties of 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one?
2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 314.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 121017957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).