2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide

C21H24N4O — CID 136568238

IUPAC2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC1=Nc2ccccc2C12CCN(C(=O)NCCc1cccnc1)CC2
InChIInChI=1S/C21H24N4O/c1-16-21(18-6-2-3-7-19(18)24-16)9-13-25(14-10-21)20(26)23-12-8-17-5-4-11-22-15-17/h2-7,11,15H,8-10,12-14H2,1H3,(H,23,26)
InChIKeyDZARPYREYKXXJT-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide

2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 136568238) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
PubChem CID136568238
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide
SMILESCC1=Nc2ccccc2C12CCN(C(=O)NCCc1cccnc1)CC2
InChIInChI=1S/C21H24N4O/c1-16-21(18-6-2-3-7-19(18)24-16)9-13-25(14-10-21)20(26)23-12-8-17-5-4-11-22-15-17/h2-7,11,15H,8-10,12-14H2,1H3,(H,23,26)
InChIKeyDZARPYREYKXXJT-UHFFFAOYSA-N
XLogP3.47
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
8-methyl-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146131989
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
4-imidazol-1-yl-1-(2-phenylethylcarbamoyl)piperidine-4-carboxylic acid
CID 56884519
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
CID 119063968
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide (CID 136568238) is 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide is CC1=Nc2ccccc2C12CCN(C(=O)NCCc1cccnc1)CC2.
What is the InChIKey of 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is DZARPYREYKXXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-21(18-6-2-3-7-19(18)24-16)9-13-25(14-10-21)20(26)23-12-8-17-5-4-11-22-15-17/h2-7,11,15H,8-10,12-14H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide?
2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-3-ylethyl)spiro[indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 136568238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).