N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide

C26H26N4O — CID 68555804

IUPACN-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1
InChIInChI=1S/C26H26N4O/c31-25(27-17-13-20-6-2-1-3-7-20)23-10-11-24(29-28-23)30-18-15-26(16-19-30)14-12-21-8-4-5-9-22(21)26/h1-12,14H,13,15-19H2,(H,27,31)
InChIKeyQDZADSRINCPCNA-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.01
Rot. Bonds5

About N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide

N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide (PubChem CID 68555804) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
PubChem CID68555804
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1
InChIInChI=1S/C26H26N4O/c31-25(27-17-13-20-6-2-1-3-7-20)23-10-11-24(29-28-23)30-18-15-26(16-19-30)14-12-21-8-4-5-9-22(21)26/h1-12,14H,13,15-19H2,(H,27,31)
InChIKeyQDZADSRINCPCNA-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
CID 68558300
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
(4-phenoxypiperidin-1-yl)-(6-spiro[indene-1,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
CID 68556681
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
N-[2-(4-chlorophenyl)ethyl]-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116807
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide (CID 68555804) is N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1.
What is the InChIKey of N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
The InChIKey is QDZADSRINCPCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-25(27-17-13-20-6-2-1-3-7-20)23-10-11-24(29-28-23)30-18-15-26(16-19-30)14-12-21-8-4-5-9-22(21)26/h1-12,14H,13,15-19H2,(H,27,31).
What are the key properties of N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide?
N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide is sourced from PubChem (CID 68555804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).