N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

C28H35N5O — CID 53025177

IUPACN-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1
InChIInChI=1S/C28H35N5O/c1-2-32(22-23-10-5-3-6-11-23)19-9-18-29-28(34)25-16-20-33(21-17-25)27-15-14-26(30-31-27)24-12-7-4-8-13-24/h3-8,10-15,25H,2,9,16-22H2,1H3,(H,29,34)
InChIKeySWFZXBRDCROGBW-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.39
Rot. Bonds10

About N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 53025177) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID53025177
Molecular FormulaC28H35N5O
Molecular Weight457.62 g/mol
Exact Mass457.28
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1
InChIInChI=1S/C28H35N5O/c1-2-32(22-23-10-5-3-6-11-23)19-9-18-29-28(34)25-16-20-33(21-17-25)27-15-14-26(30-31-27)24-12-7-4-8-13-24/h3-8,10-15,25H,2,9,16-22H2,1H3,(H,29,34)
InChIKeySWFZXBRDCROGBW-UHFFFAOYSA-N
XLogP4.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.39
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

N-[2-[benzyl(ethyl)amino]ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025223
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098736
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3,3-diphenylpropyl)piperidine-4-carboxamide
CID 30362227
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180
N-benzyl-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025374
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
N-[2-(diethylamino)ethyl]-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 50783320
N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide (CID 53025177) is N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is CCN(CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is SWFZXBRDCROGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c1-2-32(22-23-10-5-3-6-11-23)19-9-18-29-28(34)25-16-20-33(21-17-25)27-15-14-26(30-31-27)24-12-7-4-8-13-24/h3-8,10-15,25H,2,9,16-22H2,1H3,(H,29,34).
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53025177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).