N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide

C10H19N3O — CID 102680559

IUPACN-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
SMILESCCNC(=O)N1CCCC2CNCC21
InChIInChI=1S/C10H19N3O/c1-2-12-10(14)13-5-3-4-8-6-11-7-9(8)13/h8-9,11H,2-7H2,1H3,(H,12,14)
InChIKeyPQLSIZXJJPXTDH-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.40
Rot. Bonds1

About N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide

N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide (PubChem CID 102680559) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
PubChem CID102680559
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
SMILESCCNC(=O)N1CCCC2CNCC21
InChIInChI=1S/C10H19N3O/c1-2-12-10(14)13-5-3-4-8-6-11-7-9(8)13/h8-9,11H,2-7H2,1H3,(H,12,14)
InChIKeyPQLSIZXJJPXTDH-UHFFFAOYSA-N
XLogP0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide?
The IUPAC name of N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide (CID 102680559) is N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide.
What is the SMILES notation for N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide?
The canonical SMILES for N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide is CCNC(=O)N1CCCC2CNCC21.
What is the InChIKey of N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide?
The InChIKey is PQLSIZXJJPXTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-12-10(14)13-5-3-4-8-6-11-7-9(8)13/h8-9,11H,2-7H2,1H3,(H,12,14).
What are the key properties of N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide?
N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide is sourced from PubChem (CID 102680559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).