6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

C25H27N3O2 — CID 66673367

IUPAC6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2cccc3c2CCCC3CNCCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)20-12-13-24(28-17-20)30-23-11-5-9-21-19(8-4-10-22(21)23)16-27-15-14-18-6-2-1-3-7-18/h1-3,5-7,9,11-13,17,19,27H,4,8,10,14-16H2,(H2,26,29)
InChIKeyTWFLFUVRAVPIPF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.22
Rot. Bonds8

About 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (PubChem CID 66673367) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
PubChem CID66673367
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2cccc3c2CCCC3CNCCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O2/c26-25(29)20-12-13-24(28-17-20)30-23-11-5-9-21-19(8-4-10-22(21)23)16-27-15-14-18-6-2-1-3-7-18/h1-3,5-7,9,11-13,17,19,27H,4,8,10,14-16H2,(H2,26,29)
InChIKeyTWFLFUVRAVPIPF-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11338680
1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
CID 142940273
6-[[1-[2-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 11440723
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89232249
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673374
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[2-methyl-4-[2-[(5-methylidenecyclohex-3-en-1-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89168291

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (CID 66673367) is 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2cccc3c2CCCC3CNCCc2ccccc2)nc1.
What is the InChIKey of 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
The InChIKey is TWFLFUVRAVPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c26-25(29)20-12-13-24(28-17-20)30-23-11-5-9-21-19(8-4-10-22(21)23)16-27-15-14-18-6-2-1-3-7-18/h1-3,5-7,9,11-13,17,19,27H,4,8,10,14-16H2,(H2,26,29).
What are the key properties of 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?
6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66673367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).