6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide

C25H27N3O3 — CID 11212231

IUPAC6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC2CCCc3cc(Oc4ccc(C(N)=O)cn4)ccc32)c1
InChIInChI=1S/C25H27N3O3/c1-30-20-6-2-4-17(14-20)12-13-27-23-7-3-5-18-15-21(9-10-22(18)23)31-24-11-8-19(16-28-24)25(26)29/h2,4,6,8-11,14-16,23,27H,3,5,7,12-13H2,1H3,(H2,26,29)
InChIKeyGSGCRYBYOHMPQH-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.19
Rot. Bonds8

About 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide

6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 11212231) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID11212231
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC2CCCc3cc(Oc4ccc(C(N)=O)cn4)ccc32)c1
InChIInChI=1S/C25H27N3O3/c1-30-20-6-2-4-17(14-20)12-13-27-23-7-3-5-18-15-21(9-10-22(18)23)31-24-11-8-19(16-28-24)25(26)29/h2,4,6,8-11,14-16,23,27H,3,5,7,12-13H2,1H3,(H2,26,29)
InChIKeyGSGCRYBYOHMPQH-UHFFFAOYSA-N
XLogP4.19
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 11212231) is 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is COc1cccc(CCNC2CCCc3cc(Oc4ccc(C(N)=O)cn4)ccc32)c1.
What is the InChIKey of 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is GSGCRYBYOHMPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-20-6-2-4-17(14-20)12-13-27-23-7-3-5-18-15-21(9-10-22(18)23)31-24-11-8-19(16-28-24)25(26)29/h2,4,6,8-11,14-16,23,27H,3,5,7,12-13H2,1H3,(H2,26,29).
What are the key properties of 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[2-(3-methoxyphenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11212231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).