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

C15H19F2N3O — CID 102682859

IUPAC2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C[C@@H]2CCCN[C@@H]2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-13(12(17)6-11)19-15(21)9-20-7-10-2-1-5-18-14(10)8-20/h3-4,6,10,14,18H,1-2,5,7-9H2,(H,19,21)/t10-,14+/m0/s1
InChIKeyJLXGVJDTLIAFAD-IINYFYTJSA-N
MW295.33 g/mol
LogP1.59
Rot. Bonds3

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

2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 102682859) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID102682859
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CN1C[C@@H]2CCCN[C@@H]2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3O/c16-11-3-4-13(12(17)6-11)19-15(21)9-20-7-10-2-1-5-18-14(10)8-20/h3-4,6,10,14,18H,1-2,5,7-9H2,(H,19,21)/t10-,14+/m0/s1
InChIKeyJLXGVJDTLIAFAD-IINYFYTJSA-N
XLogP1.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)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-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
CID 102682225
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
N-(2,4-difluorophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680613
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
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,4-difluorophenyl)acetamide
CID 60972273
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-(2-chloro-3-pyridinyl)acetamide
CID 102682793
N-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17282582
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 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) is 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CN1C[C@@H]2CCCN[C@@H]2C1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is JLXGVJDTLIAFAD-IINYFYTJSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-11-3-4-13(12(17)6-11)19-15(21)9-20-7-10-2-1-5-18-14(10)8-20/h3-4,6,10,14,18H,1-2,5,7-9H2,(H,19,21)/t10-,14+/m0/s1.
What are the key properties of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide?
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 295.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 102682859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).