N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine

C22H24N4 — CID 46225105

IUPACN-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCN(Cc1ccccc1)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H24N4/c1-25(16-18-8-4-2-5-9-18)20-14-15-26(17-20)22-13-12-21(23-24-22)19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3
InChIKeyTVOQOQZONORGPY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.85
Rot. Bonds5

About N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine

N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (PubChem CID 46225105) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
PubChem CID46225105
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
SMILESCN(Cc1ccccc1)C1CCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H24N4/c1-25(16-18-8-4-2-5-9-18)20-14-15-26(17-20)22-13-12-21(23-24-22)19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3
InChIKeyTVOQOQZONORGPY-UHFFFAOYSA-N
XLogP3.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 53025177
1-benzyl-6a-methyl-5-(6-phenylpyridazin-3-yl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
CID 11428677
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
CID 97220067
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The IUPAC name of N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine (CID 46225105) is N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The canonical SMILES for N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is CN(Cc1ccccc1)C1CCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
The InChIKey is TVOQOQZONORGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-25(16-18-8-4-2-5-9-18)20-14-15-26(17-20)22-13-12-21(23-24-22)19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine?
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 46225105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).