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

C23H23N3O2 — CID 11187946

IUPAC6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CC(NCc2ccccc2)CC3)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)18-8-11-22(26-15-18)28-21-10-7-17-6-9-20(12-19(17)13-21)25-14-16-4-2-1-3-5-16/h1-5,7-8,10-11,13,15,20,25H,6,9,12,14H2,(H2,24,27)
InChIKeyVLPWRRROIZXMJL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.62
Rot. Bonds6

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

6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 11187946) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID11187946
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CC(NCc2ccccc2)CC3)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)18-8-11-22(26-15-18)28-21-10-7-17-6-9-20(12-19(17)13-21)25-14-16-4-2-1-3-5-16/h1-5,7-8,10-11,13,15,20,25H,6,9,12,14H2,(H2,24,27)
InChIKeyVLPWRRROIZXMJL-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 11187946) is 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CC(NCc2ccccc2)CC3)nc1.
What is the InChIKey of 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is VLPWRRROIZXMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(27)18-8-11-22(26-15-18)28-21-10-7-17-6-9-20(12-19(17)13-21)25-14-16-4-2-1-3-5-16/h1-5,7-8,10-11,13,15,20,25H,6,9,12,14H2,(H2,24,27).
What are the key properties of 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11187946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).