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

C22H23N7O — CID 78861446

IUPACN-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc2ccccc12
InChIInChI=1S/C22H23N7O/c1-2-28(19-9-5-7-16-6-3-4-8-18(16)19)22(30)17-12-14-27(15-13-17)21-11-10-20-23-25-26-29(20)24-21/h3-11,17H,2,12-15H2,1H3
InChIKeyFVSSEOKPBCRVQI-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.94
Rot. Bonds4

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

N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 78861446) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID78861446
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc2ccccc12
InChIInChI=1S/C22H23N7O/c1-2-28(19-9-5-7-16-6-3-4-8-18(16)19)22(30)17-12-14-27(15-13-17)21-11-10-20-23-25-26-29(20)24-21/h3-11,17H,2,12-15H2,1H3
InChIKeyFVSSEOKPBCRVQI-UHFFFAOYSA-N
XLogP2.94
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-phenyl-1-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]prop-2-en-1-one
CID 90671346
(E)-3-(4-methylphenyl)-1-[4-(tetrazolo[5,1-a]phthalazin-6-yl)piperazin-1-yl]prop-2-en-1-one
CID 90671347
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 24667522
1-[6-(4-Fluorophenyl)pyridazin-3-YL]-N-(naphthalen-1-YL)piperidine-4-carboxamide
CID 30362643
1-{3,4-Dimethyl-2-phenyl-2H-pyrazolo[3,4-D]pyridazin-7-YL}-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 16022822
(1-(6-(4-Fluorophenyl)pyridazin-3-yl)piperidin-4-yl)(indolin-1-yl)methanone
CID 30362483
1-[4-[4-[(4-Fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]pyrrolidin-2-one
CID 121298850
N-[2-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 142617418
N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 24237858
N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25471520
N-(2,3-dimethylphenyl)-1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidine-4-carboxamide
CID 30362654
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30750237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 78861446) is N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is FVSSEOKPBCRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-2-28(19-9-5-7-16-6-3-4-8-18(16)19)22(30)17-12-14-27(15-13-17)21-11-10-20-23-25-26-29(20)24-21/h3-11,17H,2,12-15H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78861446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).