N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C25H28N4O2 — CID 53070467

IUPACN-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-8-10-22(11-9-19)29-24(30)13-12-23(27-29)28-16-14-21(15-17-28)25(31)26-18-20-6-4-3-5-7-20/h3-13,21H,2,14-18H2,1H3,(H,26,31)
InChIKeyBBQZKWHWWPYNEU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.33
Rot. Bonds6

About N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070467) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070467
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O2/c1-2-19-8-10-22(11-9-19)29-24(30)13-12-23(27-29)28-16-14-21(15-17-28)25(31)26-18-20-6-4-3-5-7-20/h3-13,21H,2,14-18H2,1H3,(H,26,31)
InChIKeyBBQZKWHWWPYNEU-UHFFFAOYSA-N
XLogP3.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53070496
(3S)-N-[(3-bromophenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069275
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070501
N-benzyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771931
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 53071041
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070681
(3S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069267
1-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid
CID 53214226

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070467) is N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is CCc1ccc(-n2nc(N3CCC(C(=O)NCc4ccccc4)CC3)ccc2=O)cc1.
What is the InChIKey of N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is BBQZKWHWWPYNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-19-8-10-22(11-9-19)29-24(30)13-12-23(27-29)28-16-14-21(15-17-28)25(31)26-18-20-6-4-3-5-7-20/h3-13,21H,2,14-18H2,1H3,(H,26,31).
What are the key properties of N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).