N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C24H31N5O2 — CID 131647919

IUPACN-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)CCNC(=O)CC1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21
InChIInChI=1S/C24H31N5O2/c1-28(2)14-11-25-22(30)15-19-16-24(21-6-4-3-5-20(19)21)8-12-29(13-9-24)23(31)18-7-10-26-27-17-18/h3-7,10,17,19H,8-9,11-16H2,1-2H3,(H,25,30)
InChIKeyLDMYAQZOTOVPPT-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 131647919) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID131647919
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCN(C)CCNC(=O)CC1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21
InChIInChI=1S/C24H31N5O2/c1-28(2)14-11-25-22(30)15-19-16-24(21-6-4-3-5-20(19)21)8-12-29(13-9-24)23(31)18-7-10-26-27-17-18/h3-7,10,17,19H,8-9,11-16H2,1-2H3,(H,25,30)
InChIKeyLDMYAQZOTOVPPT-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131655149
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376033
N-[2-(dimethylamino)ethyl]-2-[1'-(thiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155863331
N-[2-(dimethylamino)ethyl]-2-[(1R)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376005
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(pyridin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376004
N-[2-(dimethylamino)ethyl]-2-[1'-(pyrrolidine-1-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843627
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-(furan-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375988
N-[2-(dimethylamino)ethyl]-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375993
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131662358
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155843975
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155848462

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 131647919) is N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CN(C)CCNC(=O)CC1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is LDMYAQZOTOVPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28(2)14-11-25-22(30)15-19-16-24(21-6-4-3-5-20(19)21)8-12-29(13-9-24)23(31)18-7-10-26-27-17-18/h3-7,10,17,19H,8-9,11-16H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 421.55 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[1'-(pyridazine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 131647919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).