6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide

C19H21FN4O — CID 146536490

IUPAC6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
SMILESCc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2
InChIInChI=1S/C19H21FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8H,6-7,9,21H2,1-3H3,(H,22,23)
InChIKeyUXGSDFHEOAQQBF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.94
Rot. Bonds2

About 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide

6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide (PubChem CID 146536490) 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-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide.

Molecular Properties

Compound Name6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
PubChem CID146536490
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
SMILESCc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2
InChIInChI=1S/C19H21FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8H,6-7,9,21H2,1-3H3,(H,22,23)
InChIKeyUXGSDFHEOAQQBF-UHFFFAOYSA-N
XLogP2.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.94
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 6-amino-2-fluoro-N,N-dimethyl-3-(4-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-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide (CID 146536490) is 6-amino-2-fluoro-N,N-dimethyl-3-(4-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-(4-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-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide is Cc1c(-c2ccc(N)c(C(=O)N(C)C)c2F)cnc2c1C1(CC1)CN2.
What is the InChIKey of 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?
The InChIKey is UXGSDFHEOAQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8H,6-7,9,21H2,1-3H3,(H,22,23).
What are the key properties of 6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide?
6-amino-2-fluoro-N,N-dimethyl-3-(4-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 2.94, 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-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide is sourced from PubChem (CID 146536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).