2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C15H23N3O — CID 81097045

IUPAC2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1ccnc(N2CCC3(O)CCCCC3C2)c1N
InChIInChI=1S/C15H23N3O/c1-11-5-8-17-14(13(11)16)18-9-7-15(19)6-3-2-4-12(15)10-18/h5,8,12,19H,2-4,6-7,9-10,16H2,1H3
InChIKeyBUANAVVVWVLMOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.10
Rot. Bonds1

About 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81097045) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81097045
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCc1ccnc(N2CCC3(O)CCCCC3C2)c1N
InChIInChI=1S/C15H23N3O/c1-11-5-8-17-14(13(11)16)18-9-7-15(19)6-3-2-4-12(15)10-18/h5,8,12,19H,2-4,6-7,9-10,16H2,1H3
InChIKeyBUANAVVVWVLMOJ-UHFFFAOYSA-N
XLogP2.10
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Related Compounds

2-(3-methylpyrazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 83064795
2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81116309
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-ethylpyrazin-2-one
CID 81103547
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pyridine-4-carboxylic acid
CID 81115228
2-[2-(aminomethyl)-6-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107105775
2-[6-(aminomethyl)-3-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115487103
2-[4-[1-(methylamino)ethyl]-2-pyridinyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096167
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-methylbenzenecarbothioamide
CID 81273043
2-thieno[2,3-d]pyrimidin-4-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097789
2-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103437180
2-(2-amino-6-chloropyrimidin-4-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115050

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81097045) is 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is Cc1ccnc(N2CCC3(O)CCCCC3C2)c1N.
What is the InChIKey of 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is BUANAVVVWVLMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-8-17-14(13(11)16)18-9-7-15(19)6-3-2-4-12(15)10-18/h5,8,12,19H,2-4,6-7,9-10,16H2,1H3.
What are the key properties of 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 261.37 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methyl-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81097045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).