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

C20H24N4O3 — CID 66673417

IUPAC6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)NCCNC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C20H24N4O3/c1-13(25)22-9-10-23-18-4-2-3-14-11-16(6-7-17(14)18)27-19-8-5-15(12-24-19)20(21)26/h5-8,11-12,18,23H,2-4,9-10H2,1H3,(H2,21,26)(H,22,25)
InChIKeyNMIGFZQMEIHLAB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.08
Rot. Bonds7

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

6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (PubChem CID 66673417) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
PubChem CID66673417
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
SMILESCC(=O)NCCNC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C20H24N4O3/c1-13(25)22-9-10-23-18-4-2-3-14-11-16(6-7-17(14)18)27-19-8-5-15(12-24-19)20(21)26/h5-8,11-12,18,23H,2-4,9-10H2,1H3,(H2,21,26)(H,22,25)
InChIKeyNMIGFZQMEIHLAB-UHFFFAOYSA-N
XLogP2.08
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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]pyridine-3-carboxamide
CID 59750665
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673474
6-[[1-[(2,3-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11188152
6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11417118
6-[[1-(2-acetamidoethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-4-[7-[(3-carbamoyl-4-pyridinyl)oxy]-5,6,7,8-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 90697421
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N'-ethylpyridine-3-carboximidamide
CID 159986833
6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673374
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11338680

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide (CID 66673417) is 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is CC(=O)NCCNC1CCCc2cc(Oc3ccc(C(N)=O)cn3)ccc21.
What is the InChIKey of 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
The InChIKey is NMIGFZQMEIHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(25)22-9-10-23-18-4-2-3-14-11-16(6-7-17(14)18)27-19-8-5-15(12-24-19)20(21)26/h5-8,11-12,18,23H,2-4,9-10H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide?
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66673417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).