N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide

C28H35N5O2 — CID 122184694

IUPACN-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(NC(C)=O)CC4)cc3)nn2)cc1
InChIInChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34)
InChIKeySAYDHMAEZCXKDT-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.30
Rot. Bonds10

About N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide

N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 122184694) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID122184694
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(NC(C)=O)CC4)cc3)nn2)cc1
InChIInChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34)
InChIKeySAYDHMAEZCXKDT-UHFFFAOYSA-N
XLogP4.30
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(piperidin-1-ylmethyl)aniline
CID 16742746
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 122184691
4-[(dimethylamino)methyl]-N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]aniline
CID 16742745
1-[[4-[3-[6-(4-Methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-ol
CID 16742747
N-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propyl]-4-(morpholin-4-ylmethyl)aniline
CID 122184692
1-[[4-[3-[6-(4-Methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
CID 122184693
N-[1-[[4-[3-(6-phenoxypyridazin-3-yl)propylamino]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184697
N-[1-[[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184704
N-[1-[[4-[3-(6-benzylpyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184705
N-[1-[[4-[3-(6-phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184706
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 7162170
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-(4-methoxyphenyl)pyridazin-3-yl]ethenyl]-N,N-dimethylaniline
CID 71461086

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide (CID 122184694) is N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide is COc1ccc(-c2ccc(CCCNc3ccc(CN4CCC(NC(C)=O)CC4)cc3)nn2)cc1.
What is the InChIKey of N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is SAYDHMAEZCXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34).
What are the key properties of N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 473.62 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 122184694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).