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

C18H20N4O — CID 146536698

IUPAC2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CC2)CN3)ccc1N
InChIInChI=1S/C18H20N4O/c1-22(2)17(23)13-7-11(3-4-15(13)19)12-8-14-16(20-9-12)21-10-18(14)5-6-18/h3-4,7-9H,5-6,10,19H2,1-2H3,(H,20,21)
InChIKeyWPABMSKPBVBVGZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.49
Rot. Bonds2

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

2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide (PubChem CID 146536698) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide
PubChem CID146536698
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide
SMILESCN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CC2)CN3)ccc1N
InChIInChI=1S/C18H20N4O/c1-22(2)17(23)13-7-11(3-4-15(13)19)12-8-14-16(20-9-12)21-10-18(14)5-6-18/h3-4,7-9H,5-6,10,19H2,1-2H3,(H,20,21)
InChIKeyWPABMSKPBVBVGZ-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.49
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'-cyclopropane]-5-ylbenzamide?
The IUPAC name of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide (CID 146536698) is 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide?
The canonical SMILES for 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide is CN(C)C(=O)c1cc(-c2cnc3c(c2)C2(CC2)CN3)ccc1N.
What is the InChIKey of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide?
The InChIKey is WPABMSKPBVBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(2)17(23)13-7-11(3-4-15(13)19)12-8-14-16(20-9-12)21-10-18(14)5-6-18/h3-4,7-9H,5-6,10,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide?
2-amino-N,N-dimethyl-5-spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-ylbenzamide has a molecular weight of 308.39 g/mol, XLogP of 2.49, 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'-cyclopropane]-5-ylbenzamide is sourced from PubChem (CID 146536698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).