1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine

C22H25N5O — CID 119127379

IUPAC1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
SMILESc1ccc(COc2cccc(CNC3CCCN(c4cccnn4)C3)c2)nc1
InChIInChI=1S/C22H25N5O/c1-2-11-23-20(7-1)17-28-21-9-3-6-18(14-21)15-24-19-8-5-13-27(16-19)22-10-4-12-25-26-22/h1-4,6-7,9-12,14,19,24H,5,8,13,15-17H2
InChIKeyJJLLQHQUVDUFSN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds7

About 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine

1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 119127379) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID119127379
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
SMILESc1ccc(COc2cccc(CNC3CCCN(c4cccnn4)C3)c2)nc1
InChIInChI=1S/C22H25N5O/c1-2-11-23-20(7-1)17-28-21-9-3-6-18(14-21)15-24-19-8-5-13-27(16-19)22-10-4-12-25-26-22/h1-4,6-7,9-12,14,19,24H,5,8,13,15-17H2
InChIKeyJJLLQHQUVDUFSN-UHFFFAOYSA-N
XLogP3.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine with MolForge

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Related Compounds

N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772885
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
CID 95610322

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine (CID 119127379) is 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine is c1ccc(COc2cccc(CNC3CCCN(c4cccnn4)C3)c2)nc1.
What is the InChIKey of 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is JJLLQHQUVDUFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-11-23-20(7-1)17-28-21-9-3-6-18(14-21)15-24-19-8-5-13-27(16-19)22-10-4-12-25-26-22/h1-4,6-7,9-12,14,19,24H,5,8,13,15-17H2.
What are the key properties of 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine?
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 375.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 119127379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).