N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C24H25N7O — CID 30749176

IUPACN-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C24H25N7O/c1-18-7-9-21(10-8-18)30(17-19-5-3-2-4-6-19)24(32)20-13-15-29(16-14-20)23-12-11-22-25-27-28-31(22)26-23/h2-12,20H,13-17H2,1H3
InChIKeyBIFJZMUXGKEHOI-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.28
Rot. Bonds5

About N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 30749176) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID30749176
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C24H25N7O/c1-18-7-9-21(10-8-18)30(17-19-5-3-2-4-6-19)24(32)20-13-15-29(16-14-20)23-12-11-22-25-27-28-31(22)26-23/h2-12,20H,13-17H2,1H3
InChIKeyBIFJZMUXGKEHOI-UHFFFAOYSA-N
XLogP3.28
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30822093
N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78861446
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601414
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86874693
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600370
N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78852969
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43043853
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30822123
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 51950205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 30749176) is N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is BIFJZMUXGKEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-18-7-9-21(10-8-18)30(17-19-5-3-2-4-6-19)24(32)20-13-15-29(16-14-20)23-12-11-22-25-27-28-31(22)26-23/h2-12,20H,13-17H2,1H3.
What are the key properties of N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30749176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).