6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C14H21N3 — CID 102682282

IUPAC6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCc1cccc(CN2CC3CCCNC3C2)n1
InChIInChI=1S/C14H21N3/c1-11-4-2-6-13(16-11)9-17-8-12-5-3-7-15-14(12)10-17/h2,4,6,12,14-15H,3,5,7-10H2,1H3
InChIKeyKYPUXXLHKHWPIZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.57
Rot. Bonds2

About 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102682282) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102682282
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCc1cccc(CN2CC3CCCNC3C2)n1
InChIInChI=1S/C14H21N3/c1-11-4-2-6-13(16-11)9-17-8-12-5-3-7-15-14(12)10-17/h2,4,6,12,14-15H,3,5,7-10H2,1H3
InChIKeyKYPUXXLHKHWPIZ-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

1-phenyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine
CID 2770910
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(9R,13R)-4,13-dimethyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 44409096
1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 3159598
4-(1H,2H,3H,4H-pyrrolo(1,2-a)pyrazin-1-yl)pyridine
CID 2770918
1,6-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
CID 3672668
dimethyl(2,3,4,9-tetrahydro-1H-beta-carboline-1-ylmethyl)amine
CID 10014060
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-9-(3-(dimethylamino)propyl)-1-ethyl-
CID 3050505
2,6-Dimethyl-3-(1-methyl-2-pyrrolidinyl)pyridine
CID 3053191
(7S)-3-phenyl-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
CID 11231779
(7S)-3-[(dimethylamino)methyl]-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
CID 11346463
(7R)-3-phenyl-N,N-dipropyl-5,6,7,8-tetrahydroindolizin-7-amine
CID 11403724

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102682282) is 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is Cc1cccc(CN2CC3CCCNC3C2)n1.
What is the InChIKey of 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is KYPUXXLHKHWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-4-2-6-13(16-11)9-17-8-12-5-3-7-15-14(12)10-17/h2,4,6,12,14-15H,3,5,7-10H2,1H3.
What are the key properties of 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 231.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102682282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).