2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide

C20H24N4O — CID 146446752

IUPAC2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCCC2)CN3)ccc1N
InChIInChI=1S/C20H24N4O/c1-24(2)19(25)15-9-13(5-6-17(15)21)14-10-16-18(22-11-14)23-12-20(16)7-3-4-8-20/h5-6,9-11H,3-4,7-8,12,21H2,1-2H3,(H,22,23)
InChIKeyDGAUFASKKMUKJE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.27
Rot. Bonds2

About 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide

2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide (PubChem CID 146446752) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide
PubChem CID146446752
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCCC2)CN3)ccc1N
InChIInChI=1S/C20H24N4O/c1-24(2)19(25)15-9-13(5-6-17(15)21)14-10-16-18(22-11-14)23-12-20(16)7-3-4-8-20/h5-6,9-11H,3-4,7-8,12,21H2,1-2H3,(H,22,23)
InChIKeyDGAUFASKKMUKJE-UHFFFAOYSA-N
XLogP3.27
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide (CID 146446752) is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide is CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CCCC2)CN3)ccc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is DGAUFASKKMUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-24(2)19(25)15-9-13(5-6-17(15)21)14-10-16-18(22-11-14)23-12-20(16)7-3-4-8-20/h5-6,9-11H,3-4,7-8,12,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide?
2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 146446752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).