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

C24H24ClN3O2 — CID 11396083

IUPAC6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C24H24ClN3O2/c25-19-5-1-3-16(13-19)11-12-27-22-6-2-4-17-14-20(8-9-21(17)22)30-23-10-7-18(15-28-23)24(26)29/h1,3,5,7-10,13-15,22,27H,2,4,6,11-12H2,(H2,26,29)
InChIKeyOZVGYXIWAUDMGJ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.84
Rot. Bonds7

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

6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 11396083) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID11396083
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C24H24ClN3O2/c25-19-5-1-3-16(13-19)11-12-27-22-6-2-4-17-14-20(8-9-21(17)22)30-23-10-7-18(15-28-23)24(26)29/h1,3,5,7-10,13-15,22,27H,2,4,6,11-12H2,(H2,26,29)
InChIKeyOZVGYXIWAUDMGJ-UHFFFAOYSA-N
XLogP4.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 11396083) is 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is OZVGYXIWAUDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-19-5-1-3-16(13-19)11-12-27-22-6-2-4-17-14-20(8-9-21(17)22)30-23-10-7-18(15-28-23)24(26)29/h1,3,5,7-10,13-15,22,27H,2,4,6,11-12H2,(H2,26,29).
What are the key properties of 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[2-(3-chlorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11396083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).