N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C21H24N4O2 — CID 128614385

IUPACN-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)N2CC3(CCCC3)c3ccccc32)ccn1
InChIInChI=1S/C21H24N4O2/c1-24(2)19(26)17-13-15(9-12-22-17)23-20(27)25-14-21(10-5-6-11-21)16-7-3-4-8-18(16)25/h3-4,7-9,12-13H,5-6,10-11,14H2,1-2H3,(H,22,23,27)
InChIKeyAACHYPCQCCRZNJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds2

About N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 128614385) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID128614385
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)N2CC3(CCCC3)c3ccccc32)ccn1
InChIInChI=1S/C21H24N4O2/c1-24(2)19(26)17-13-15(9-12-22-17)23-20(27)25-14-21(10-5-6-11-21)16-7-3-4-8-18(16)25/h3-4,7-9,12-13H,5-6,10-11,14H2,1-2H3,(H,22,23,27)
InChIKeyAACHYPCQCCRZNJ-UHFFFAOYSA-N
XLogP3.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 128614385) is N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CN(C)C(=O)c1cc(NC(=O)N2CC3(CCCC3)c3ccccc32)ccn1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is AACHYPCQCCRZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(2)19(26)17-13-15(9-12-22-17)23-20(27)25-14-21(10-5-6-11-21)16-7-3-4-8-18(16)25/h3-4,7-9,12-13H,5-6,10-11,14H2,1-2H3,(H,22,23,27).
What are the key properties of N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)-4-pyridinyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 128614385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).