2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C20H22FN3O — CID 53145109

IUPAC2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCCCn1cc(CCNC(=O)Cc2cccc(F)c2)c2cccnc21
InChIInChI=1S/C20H22FN3O/c1-2-11-24-14-16(18-7-4-9-23-20(18)24)8-10-22-19(25)13-15-5-3-6-17(21)12-15/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,22,25)
InChIKeyXREBXVCRSQACDM-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.49
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 53145109) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID53145109
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCCCn1cc(CCNC(=O)Cc2cccc(F)c2)c2cccnc21
InChIInChI=1S/C20H22FN3O/c1-2-11-24-14-16(18-7-4-9-23-20(18)24)8-10-22-19(25)13-15-5-3-6-17(21)12-15/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,22,25)
InChIKeyXREBXVCRSQACDM-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
CID 53144971
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144667
2-chloro-5-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzamide
CID 53145176
(3R)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95095657
1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methylphenyl)urea
CID 53144570
N-[(3-fluorophenyl)methyl]-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145554
2,3,5,6-tetramethyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144876

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 53145109) is 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is CCCn1cc(CCNC(=O)Cc2cccc(F)c2)c2cccnc21.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is XREBXVCRSQACDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-2-11-24-14-16(18-7-4-9-23-20(18)24)8-10-22-19(25)13-15-5-3-6-17(21)12-15/h3-7,9,12,14H,2,8,10-11,13H2,1H3,(H,22,25).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 339.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 53145109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).