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

C25H33N3O2 — CID 66673374

IUPAC6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)C(CNCCC2CCCCC2)CCC3)nc1
InChIInChI=1S/C25H33N3O2/c26-25(29)21-10-12-24(28-17-21)30-22-11-9-19-7-4-8-20(23(19)15-22)16-27-14-13-18-5-2-1-3-6-18/h9-12,15,17-18,20,27H,1-8,13-14,16H2,(H2,26,29)
InChIKeyMSIGWDNLJHUPSZ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.95
Rot. Bonds8

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

6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 66673374) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID66673374
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)C(CNCCC2CCCCC2)CCC3)nc1
InChIInChI=1S/C25H33N3O2/c26-25(29)21-10-12-24(28-17-21)30-22-11-9-19-7-4-8-20(23(19)15-22)16-27-14-13-18-5-2-1-3-6-18/h9-12,15,17-18,20,27H,1-8,13-14,16H2,(H2,26,29)
InChIKeyMSIGWDNLJHUPSZ-UHFFFAOYSA-N
XLogP4.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672312
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 66673367
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
CID 159986833
6-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]pyridine-3-carboxamide
CID 146325556
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11315060
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644

Frequently Asked Questions

What is the IUPAC name of 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 66673374) is 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)C(CNCCC2CCCCC2)CCC3)nc1.
What is the InChIKey of 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is MSIGWDNLJHUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c26-25(29)21-10-12-24(28-17-21)30-22-11-9-19-7-4-8-20(23(19)15-22)16-27-14-13-18-5-2-1-3-6-18/h9-12,15,17-18,20,27H,1-8,13-14,16H2,(H2,26,29).
What are the key properties of 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66673374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).