1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine

C22H25N5O — CID 119125214

IUPAC1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
SMILESc1cnnc(N2CCCC(NCc3ccc(OCc4ccncc4)cc3)C2)c1
InChIInChI=1S/C22H25N5O/c1-4-22(26-25-11-1)27-14-2-3-20(16-27)24-15-18-5-7-21(8-6-18)28-17-19-9-12-23-13-10-19/h1,4-13,20,24H,2-3,14-17H2
InChIKeyBRQYPVQIEBVJDU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.21
Rot. Bonds7

About 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine

1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 119125214) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID119125214
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
SMILESc1cnnc(N2CCCC(NCc3ccc(OCc4ccncc4)cc3)C2)c1
InChIInChI=1S/C22H25N5O/c1-4-22(26-25-11-1)27-14-2-3-20(16-27)24-15-18-5-7-21(8-6-18)28-17-19-9-12-23-13-10-19/h1,4-13,20,24H,2-3,14-17H2
InChIKeyBRQYPVQIEBVJDU-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-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine with MolForge

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-1-pyridazin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidin-3-amine
CID 95323605
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
(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
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine (CID 119125214) is 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine is c1cnnc(N2CCCC(NCc3ccc(OCc4ccncc4)cc3)C2)c1.
What is the InChIKey of 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is BRQYPVQIEBVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-22(26-25-11-1)27-14-2-3-20(16-27)24-15-18-5-7-21(8-6-18)28-17-19-9-12-23-13-10-19/h1,4-13,20,24H,2-3,14-17H2.
What are the key properties of 1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine?
1-pyridazin-3-yl-N-[[4-(pyridin-4-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-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 119125214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).