1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine

C21H30N4O — CID 175425942

IUPAC1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine
SMILESCCCCCNC1CCCN(c2ccc(-c3ccccc3OC)nn2)C1
InChIInChI=1S/C21H30N4O/c1-3-4-7-14-22-17-9-8-15-25(16-17)21-13-12-19(23-24-21)18-10-5-6-11-20(18)26-2/h5-6,10-13,17,22H,3-4,7-9,14-16H2,1-2H3
InChIKeyNOVFHINRCRMOLJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.90
Rot. Bonds8

About 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine (PubChem CID 175425942) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine.

Molecular Properties

Compound Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine
PubChem CID175425942
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine
SMILESCCCCCNC1CCCN(c2ccc(-c3ccccc3OC)nn2)C1
InChIInChI=1S/C21H30N4O/c1-3-4-7-14-22-17-9-8-15-25(16-17)21-13-12-19(23-24-21)18-10-5-6-11-20(18)26-2/h5-6,10-13,17,22H,3-4,7-9,14-16H2,1-2H3
InChIKeyNOVFHINRCRMOLJ-UHFFFAOYSA-N
XLogP3.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 175426048
3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
CID 95549741
[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95552211
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
N-(2-methoxyphenyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070660
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]piperidine-3-carboxamide
CID 71805015
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 121070532
N-(5-chloro-2-methoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070569
3,4-dihydro-1H-isoquinolin-2-yl-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070456

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine?
The IUPAC name of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine (CID 175425942) is 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine.
What is the SMILES notation for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine?
The canonical SMILES for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine is CCCCCNC1CCCN(c2ccc(-c3ccccc3OC)nn2)C1.
What is the InChIKey of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine?
The InChIKey is NOVFHINRCRMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-4-7-14-22-17-9-8-15-25(16-17)21-13-12-19(23-24-21)18-10-5-6-11-20(18)26-2/h5-6,10-13,17,22H,3-4,7-9,14-16H2,1-2H3.
What are the key properties of 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine?
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine has a molecular weight of 354.50 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine is sourced from PubChem (CID 175425942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).