N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C24H32N8O — CID 86874693

IUPACN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H32N8O/c1-3-31(21-13-16-30(17-21)18(2)19-7-5-4-6-8-19)24(33)20-11-14-29(15-12-20)23-10-9-22-25-27-28-32(22)26-23/h4-10,18,20-21H,3,11-17H2,1-2H3
InChIKeyJJBHEUBODAXTKL-UHFFFAOYSA-N
MW448.58 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 86874693) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID86874693
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H32N8O/c1-3-31(21-13-16-30(17-21)18(2)19-7-5-4-6-8-19)24(33)20-11-14-29(15-12-20)23-10-9-22-25-27-28-32(22)26-23/h4-10,18,20-21H,3,11-17H2,1-2H3
InChIKeyJJBHEUBODAXTKL-UHFFFAOYSA-N
XLogP2.42
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 24667522
N-methyl-N-(1-methylpiperidin-4-yl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30866584
2-Ethyl-1-(4-(6-phenylpyridazin-3-yl)piperazin-1-yl)butan-1-one
CID 42110640
N-[3-[benzyl(methyl)amino]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771856
(1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3-yl)piperidin-4-yl)(indolin-1-yl)methanone
CID 56764766
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
CID 134801106
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
1-[4-(3-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 134803124
Cyclopropyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 134803650
3-(4-Fluorophenyl)-6-[4-(pyrrolidine-1-carbonyl)piperidin-1-YL]pyridazine
CID 51691183
3-(3-Fluorophenyl)-6-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyridazine
CID 53004896
(7S,8aS)-7-[3-(3-fluoro-2-methylphenyl)propyl]-2-(6-methylpyridazin-3-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 153542254

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 86874693) is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is JJBHEUBODAXTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O/c1-3-31(21-13-16-30(17-21)18(2)19-7-5-4-6-8-19)24(33)20-11-14-29(15-12-20)23-10-9-22-25-27-28-32(22)26-23/h4-10,18,20-21H,3,11-17H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86874693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).