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

C15H20ClN3O — CID 102681612

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCCC2CNCC21)Nc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-6-2-3-11-8-17-9-14(11)19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20)
InChIKeyZLPMCXVVXGWOQT-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.96
Rot. Bonds3

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

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 102681612) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID102681612
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(CN1CCCC2CNCC21)Nc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-6-2-3-11-8-17-9-14(11)19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20)
InChIKeyZLPMCXVVXGWOQT-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-cyanophenyl)acetamide
CID 102681426
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-phenylpropanamide
CID 102681637
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(3-aminophenyl)acetamide
CID 82746898
N-(3,5-dichlorophenyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 107654343
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N'-acetylacetohydrazide
CID 102681798
N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
CID 102681654
2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide
CID 9033379
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,4-dichlorophenyl)acetamide
CID 11931116
N-(3-chlorophenyl)-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 95622494
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931048

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide (CID 102681612) is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide is O=C(CN1CCCC2CNCC21)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is ZLPMCXVVXGWOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-4-1-5-13(7-12)18-15(20)10-19-6-2-3-11-8-17-9-14(11)19/h1,4-5,7,11,14,17H,2-3,6,8-10H2,(H,18,20).
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide?
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 293.80 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 102681612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).