1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide

C20H26N4O2S — CID 46295719

IUPAC1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1cccc(Sc2ccc(N3CCCC(C(=O)NC(C)C)C3)nn2)c1
InChIInChI=1S/C20H26N4O2S/c1-14(2)21-20(25)15-6-5-11-24(13-15)18-9-10-19(23-22-18)27-17-8-4-7-16(12-17)26-3/h4,7-10,12,14-15H,5-6,11,13H2,1-3H3,(H,21,25)
InChIKeyYYZYHGVYYNKCBG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.38
Rot. Bonds6

About 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide

1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 46295719) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID46295719
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCOc1cccc(Sc2ccc(N3CCCC(C(=O)NC(C)C)C3)nn2)c1
InChIInChI=1S/C20H26N4O2S/c1-14(2)21-20(25)15-6-5-11-24(13-15)18-9-10-19(23-22-18)27-17-8-4-7-16(12-17)26-3/h4,7-10,12,14-15H,5-6,11,13H2,1-3H3,(H,21,25)
InChIKeyYYZYHGVYYNKCBG-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxylic acid
CID 86811616
ethyl 4-[[(3S)-1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 92866970
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 50768626
N-(3-methylbutyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 46295707
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 92866952
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 4285488
(3S)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 95055554
N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070397
1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46507687
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 90514645
(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
CID 96538691
N-(2,5-dimethoxyphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118430

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 46295719) is 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide is COc1cccc(Sc2ccc(N3CCCC(C(=O)NC(C)C)C3)nn2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is YYZYHGVYYNKCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(2)21-20(25)15-6-5-11-24(13-15)18-9-10-19(23-22-18)27-17-8-4-7-16(12-17)26-3/h4,7-10,12,14-15H,5-6,11,13H2,1-3H3,(H,21,25).
What are the key properties of 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide?
1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46295719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).