6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

C23H31N3O2 — CID 66673474

IUPAC6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCCCCC(CC)CNC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C23H31N3O2/c1-3-5-6-16(4-2)14-25-21-11-7-17-13-19(9-10-20(17)21)28-22-12-8-18(15-26-22)23(24)27/h8-10,12-13,15-16,21,25H,3-7,11,14H2,1-2H3,(H2,24,27)
InChIKeyGKKGHCGWCLBBJO-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.77
Rot. Bonds10

About 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide

6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 66673474) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
PubChem CID66673474
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCCCCC(CC)CNC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc21
InChIInChI=1S/C23H31N3O2/c1-3-5-6-16(4-2)14-25-21-11-7-17-13-19(9-10-20(17)21)28-22-12-8-18(15-26-22)23(24)27/h8-10,12-13,15-16,21,25H,3-7,11,14H2,1-2H3,(H2,24,27)
InChIKeyGKKGHCGWCLBBJO-UHFFFAOYSA-N
XLogP4.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417
6-[[1-[(2,3-dimethylcyclohexyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11188152
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[[1-(2-bicyclo[2.2.1]hept-5-enylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 11417118
5-bromo-N-(2-ethylhexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420383
6-[[1-[cyclopropyl(methyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673731
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 11211889
6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672312
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11416907

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 66673474) is 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is CCCCC(CC)CNC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc21.
What is the InChIKey of 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is GKKGHCGWCLBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-5-6-16(4-2)14-25-21-11-7-17-13-19(9-10-20(17)21)28-22-12-8-18(15-26-22)23(24)27/h8-10,12-13,15-16,21,25H,3-7,11,14H2,1-2H3,(H2,24,27).
What are the key properties of 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66673474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).