3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone

C17H25N3O — CID 81238240

IUPAC3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C17H25N3O/c1-12-9-16(18-2)15(10-19-12)17(21)20-8-7-13-5-3-4-6-14(13)11-20/h9-10,13-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeySVVLMLWZIOMXNM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds2

About 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (PubChem CID 81238240) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
PubChem CID81238240
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C17H25N3O/c1-12-9-16(18-2)15(10-19-12)17(21)20-8-7-13-5-3-4-6-14(13)11-20/h9-10,13-14H,3-8,11H2,1-2H3,(H,18,19)
InChIKeySVVLMLWZIOMXNM-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone 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

[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 81238498
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81237800
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81240172
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81242822
N-cyclooctyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233984
(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
CID 81239972
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245
1-[6-methyl-4-(methylamino)pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 81241104

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (CID 81238240) is 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is CNc1cc(C)ncc1C(=O)N1CCC2CCCCC2C1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The InChIKey is SVVLMLWZIOMXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-16(18-2)15(10-19-12)17(21)20-8-7-13-5-3-4-6-14(13)11-20/h9-10,13-14H,3-8,11H2,1-2H3,(H,18,19).
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone has a molecular weight of 287.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81238240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).