6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide

C19H21FN4O — CID 146537120

About 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide

6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide (PubChem CID 146537120) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide.

Molecular Properties

• Compound Name: 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
• PubChem CID: 146537120
• Molecular Formula: C19H21FN4O
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.17
• IUPAC Name: 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
• SMILES: CC1CC12CNc1ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12
• InChI: InChI=1S/C19H21FN4O/c1-10-7-19(10)9-23-17-13(19)6-11(8-22-17)12-4-5-14(21)15(16(12)20)18(25)24(2)3/h4-6,8,10H,7,9,21H2,1-3H3,(H,22,23)
• InChIKey: TZTYHOYYBFAILV-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.40
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?

The IUPAC name of 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide (CID 146537120) is 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide.

What is the SMILES notation for 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?

The canonical SMILES for 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide is CC1CC12CNc1ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.

What is the InChIKey of 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?

The InChIKey is TZTYHOYYBFAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-10-7-19(10)9-23-17-13(19)6-11(8-22-17)12-4-5-14(21)15(16(12)20)18(25)24(2)3/h4-6,8,10H,7,9,21H2,1-3H3,(H,22,23).

What are the key properties of 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?

6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide has a molecular weight of 340.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide is sourced from PubChem (CID 146537120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).