[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone

C22H22N4O2 — CID 95552211

IUPAC[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCOc1ccccc1-c1ccc(N2CCC[C@H](C(=O)c3ccccn3)C2)nn1
InChIInChI=1S/C22H22N4O2/c1-28-20-10-3-2-8-17(20)18-11-12-21(25-24-18)26-14-6-7-16(15-26)22(27)19-9-4-5-13-23-19/h2-5,8-13,16H,6-7,14-15H2,1H3/t16-/m0/s1
InChIKeyNEKOJQKQSXJOSH-INIZCTEOSA-N
MW374.44 g/mol
LogP3.65
Rot. Bonds5

About [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 95552211) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID95552211
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCOc1ccccc1-c1ccc(N2CCC[C@H](C(=O)c3ccccn3)C2)nn1
InChIInChI=1S/C22H22N4O2/c1-28-20-10-3-2-8-17(20)18-11-12-21(25-24-18)26-14-6-7-16(15-26)22(27)19-9-4-5-13-23-19/h2-5,8-13,16H,6-7,14-15H2,1H3/t16-/m0/s1
InChIKeyNEKOJQKQSXJOSH-INIZCTEOSA-N
XLogP3.65
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070456
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 30354623
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121070532
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
CID 71805015
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
ethyl 2-[2-[[(3R)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 30354368
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070512
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121070472
N-(4-fluoro-3-nitrophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070559

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 95552211) is [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone is COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)c3ccccn3)C2)nn1.
What is the InChIKey of [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is NEKOJQKQSXJOSH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-10-3-2-8-17(20)18-11-12-21(25-24-18)26-14-6-7-16(15-26)22(27)19-9-4-5-13-23-19/h2-5,8-13,16H,6-7,14-15H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 95552211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).