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

C23H23N3O2 — CID 11176251

IUPAC6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCc2ccccc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)18-9-12-22(26-15-18)28-19-10-11-20-17(13-19)7-4-8-21(20)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21,25H,4,7-8,14H2,(H2,24,27)
InChIKeyCTGVKYVGHLSQKJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.14
Rot. Bonds6

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

6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 11176251) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID11176251
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCc2ccccc2)nc1
InChIInChI=1S/C23H23N3O2/c24-23(27)18-9-12-22(26-15-18)28-19-10-11-20-17(13-19)7-4-8-21(20)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21,25H,4,7-8,14H2,(H2,24,27)
InChIKeyCTGVKYVGHLSQKJ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 11176251) is 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCc2ccccc2)nc1.
What is the InChIKey of 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is CTGVKYVGHLSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23(27)18-9-12-22(26-15-18)28-19-10-11-20-17(13-19)7-4-8-21(20)25-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,15,21,25H,4,7-8,14H2,(H2,24,27).
What are the key properties of 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11176251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).