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

C25H27N3O2 — CID 11165530

IUPAC6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)20-11-14-24(28-17-20)30-21-12-13-22-19(16-21)9-4-10-23(22)27-15-5-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16-17,23,27H,4-5,8-10,15H2,(H2,26,29)
InChIKeyMDJPIXJZOUDXEU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.57
Rot. Bonds8

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

6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 11165530) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID11165530
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)20-11-14-24(28-17-20)30-21-12-13-22-19(16-21)9-4-10-23(22)27-15-5-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16-17,23,27H,4-5,8-10,15H2,(H2,26,29)
InChIKeyMDJPIXJZOUDXEU-UHFFFAOYSA-N
XLogP4.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 11165530) is 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCCC3NCCCc2ccccc2)nc1.
What is the InChIKey of 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is MDJPIXJZOUDXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c26-25(29)20-11-14-24(28-17-20)30-21-12-13-22-19(16-21)9-4-10-23(22)27-15-5-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16-17,23,27H,4-5,8-10,15H2,(H2,26,29).
What are the key properties of 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3-phenylpropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11165530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).