2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide

C20H22FN3O — CID 146290617

IUPAC2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide
SMILESCCC(CC)(C(N)=O)n1ccc2ncc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C20H22FN3O/c1-4-20(5-2,19(22)25)24-9-8-17-18(24)11-15(12-23-17)14-6-7-16(21)13(3)10-14/h6-12H,4-5H2,1-3H3,(H2,22,25)
InChIKeyBPYVVTLVCMYJRX-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.15
Rot. Bonds5

About 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide

2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide (PubChem CID 146290617) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide
PubChem CID146290617
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide
SMILESCCC(CC)(C(N)=O)n1ccc2ncc(-c3ccc(F)c(C)c3)cc21
InChIInChI=1S/C20H22FN3O/c1-4-20(5-2,19(22)25)24-9-8-17-18(24)11-15(12-23-17)14-6-7-16(21)13(3)10-14/h6-12H,4-5H2,1-3H3,(H2,22,25)
InChIKeyBPYVVTLVCMYJRX-UHFFFAOYSA-N
XLogP4.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]-2-oxobutyl] 2,2,2-trifluoroacetate
CID 155386153
6-(4-fluoro-3-methylphenyl)-1-(2-methoxyethyl)pyrazolo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 155386097
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
1-(2,2-dimethylmorpholin-4-yl)-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 146290607
6-(4-fluoro-3-methylphenyl)-1-(2-oxobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 134493783
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 155389053
(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
CID 155389233
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155388660
6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489949
1-[9-fluoro-3-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-cyclohepta[b]pyridin-7-yl]butan-2-one
CID 163649057

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide?
The IUPAC name of 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide (CID 146290617) is 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide.
What is the SMILES notation for 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide?
The canonical SMILES for 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide is CCC(CC)(C(N)=O)n1ccc2ncc(-c3ccc(F)c(C)c3)cc21.
What is the InChIKey of 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide?
The InChIKey is BPYVVTLVCMYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-4-20(5-2,19(22)25)24-9-8-17-18(24)11-15(12-23-17)14-6-7-16(21)13(3)10-14/h6-12H,4-5H2,1-3H3,(H2,22,25).
What are the key properties of 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide?
2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide has a molecular weight of 339.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]butanamide is sourced from PubChem (CID 146290617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).