N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide

C14H19N3O3 — CID 102681654

IUPACN-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
SMILESO=C(CN1CCCC2CNCC21)NC(=O)c1ccco1
InChIInChI=1S/C14H19N3O3/c18-13(16-14(19)12-4-2-6-20-12)9-17-5-1-3-10-7-15-8-11(10)17/h2,4,6,10-11,15H,1,3,5,7-9H2,(H,16,18,19)
InChIKeyOHSSIGGMFUBHCZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.22
Rot. Bonds3

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

N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide (PubChem CID 102681654) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
PubChem CID102681654
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide
SMILESO=C(CN1CCCC2CNCC21)NC(=O)c1ccco1
InChIInChI=1S/C14H19N3O3/c18-13(16-14(19)12-4-2-6-20-12)9-17-5-1-3-10-7-15-8-11(10)17/h2,4,6,10-11,15H,1,3,5,7-9H2,(H,16,18,19)
InChIKeyOHSSIGGMFUBHCZ-UHFFFAOYSA-N
XLogP0.22
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide 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

N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N'-acetylacetohydrazide
CID 102681798
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chlorophenyl)acetamide
CID 102681612
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 102681522
N-[2-(3-piperazin-1-ylazetidin-1-yl)acetyl]furan-2-carboxamide
CID 66196197
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-cyanophenyl)acetamide
CID 102681426
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-phenylpropanamide
CID 102681637
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide (CID 102681654) is N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide is O=C(CN1CCCC2CNCC21)NC(=O)c1ccco1.
What is the InChIKey of N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide?
The InChIKey is OHSSIGGMFUBHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(16-14(19)12-4-2-6-20-12)9-17-5-1-3-10-7-15-8-11(10)17/h2,4,6,10-11,15H,1,3,5,7-9H2,(H,16,18,19).
What are the key properties of N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide?
N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)acetyl]furan-2-carboxamide is sourced from PubChem (CID 102681654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).