6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide

C20H25N3O2 — CID 68747034

IUPAC6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
SMILESCCCCCN1CCc2c(cccc2Oc2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-11-23-12-10-17-16(14-23)6-5-7-18(17)25-19-9-8-15(13-22-19)20(21)24/h5-9,13H,2-4,10-12,14H2,1H3,(H2,21,24)
InChIKeyYAOICZJSNRAGFR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds7

About 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide

6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide (PubChem CID 68747034) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
PubChem CID68747034
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
SMILESCCCCCN1CCc2c(cccc2Oc2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-11-23-12-10-17-16(14-23)6-5-7-18(17)25-19-9-8-15(13-22-19)20(21)24/h5-9,13H,2-4,10-12,14H2,1H3,(H2,21,24)
InChIKeyYAOICZJSNRAGFR-UHFFFAOYSA-N
XLogP3.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
CID 68750583
tert-butyl 5-[(5-carbamoyl-2-pyridinyl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59730065
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11416907
2-butyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559327
4-(6-octoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butanoic acid
CID 130293506
4-(6-hexoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butanoic acid
CID 135389950
6-butoxypyridine-3-carboxamide
CID 506622
6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 90971655
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide (CID 68747034) is 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide is CCCCCN1CCc2c(cccc2Oc2ccc(C(N)=O)cn2)C1.
What is the InChIKey of 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide?
The InChIKey is YAOICZJSNRAGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-4-11-23-12-10-17-16(14-23)6-5-7-18(17)25-19-9-8-15(13-22-19)20(21)24/h5-9,13H,2-4,10-12,14H2,1H3,(H2,21,24).
What are the key properties of 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide?
6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 68747034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).