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

C18H21N3O2 — CID 59750665

IUPAC6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNCCC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C18H21N3O2/c19-9-8-12-2-1-3-13-10-15(5-6-16(12)13)23-17-7-4-14(11-21-17)18(20)22/h4-7,10-12H,1-3,8-9,19H2,(H2,20,22)
InChIKeyCINOJYRCVMRCEV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds5

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

6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 59750665) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID59750665
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNCCC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C18H21N3O2/c19-9-8-12-2-1-3-13-10-15(5-6-16(12)13)23-17-7-4-14(11-21-17)18(20)22/h4-7,10-12H,1-3,8-9,19H2,(H2,20,22)
InChIKeyCINOJYRCVMRCEV-UHFFFAOYSA-N
XLogP2.74
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 59750665) is 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NCCC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21.
What is the InChIKey of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is CINOJYRCVMRCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-9-8-12-2-1-3-13-10-15(5-6-16(12)13)23-17-7-4-14(11-21-17)18(20)22/h4-7,10-12H,1-3,8-9,19H2,(H2,20,22).
What are the key properties of 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 59750665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).