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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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).