2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide

C15H20FN3O — CID 102682225

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CC2CCCNC2C1)Nc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-8-11-3-2-6-17-14(11)9-19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20)
InChIKeyCLGOJQPQLCXTEY-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.45
Rot. Bonds3

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 102682225) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
PubChem CID102682225
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CC2CCCNC2C1)Nc1cccc(F)c1
InChIInChI=1S/C15H20FN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-8-11-3-2-6-17-14(11)9-19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20)
InChIKeyCLGOJQPQLCXTEY-UHFFFAOYSA-N
XLogP1.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-difluorophenyl)acetamide
CID 102681991
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide
CID 102682859
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-chlorophenyl)acetamide
CID 102683207
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 102682851
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetyl]benzamide
CID 102682485
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 102682793
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 102682516

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide (CID 102682225) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide is O=C(CN1CC2CCCNC2C1)Nc1cccc(F)c1.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is CLGOJQPQLCXTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-8-11-3-2-6-17-14(11)9-19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20).
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 277.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 102682225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).