6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

C21H27N3O2 — CID 11416907

IUPAC6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
SMILESCCCCCNC1CCc2cccc(Oc3ccc(C(N)=O)cn3)c2C1
InChIInChI=1S/C21H27N3O2/c1-2-3-4-12-23-17-10-8-15-6-5-7-19(18(15)13-17)26-20-11-9-16(14-24-20)21(22)25/h5-7,9,11,14,17,23H,2-4,8,10,12-13H2,1H3,(H2,22,25)
InChIKeyPCGIMRQGRMSFQQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.61
Rot. Bonds8

About 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (PubChem CID 11416907) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
PubChem CID11416907
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
SMILESCCCCCNC1CCc2cccc(Oc3ccc(C(N)=O)cn3)c2C1
InChIInChI=1S/C21H27N3O2/c1-2-3-4-12-23-17-10-8-15-6-5-7-19(18(15)13-17)26-20-11-9-16(14-24-20)21(22)25/h5-7,9,11,14,17,23H,2-4,8,10,12-13H2,1H3,(H2,22,25)
InChIKeyPCGIMRQGRMSFQQ-UHFFFAOYSA-N
XLogP3.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
CID 68747034
7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 15379738
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673474
6-[[1-[2-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 11440723
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11338680
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693

Frequently Asked Questions

What is the IUPAC name of 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (CID 11416907) is 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is CCCCCNC1CCc2cccc(Oc3ccc(C(N)=O)cn3)c2C1.
What is the InChIKey of 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The InChIKey is PCGIMRQGRMSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-3-4-12-23-17-10-8-15-6-5-7-19(18(15)13-17)26-20-11-9-16(14-24-20)21(22)25/h5-7,9,11,14,17,23H,2-4,8,10,12-13H2,1H3,(H2,22,25).
What are the key properties of 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11416907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).