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

C20H25N3O2 — CID 66672841

IUPAC6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCCCCCNC1Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-9-22-17-10-14-5-7-18(12-16(14)11-17)25-19-8-6-15(13-23-19)20(21)24/h5-8,12-13,17,22H,2-4,9-11H2,1H3,(H2,21,24)
InChIKeyLPNJDTPJGHPAGP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds8

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

6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 66672841) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
PubChem CID66672841
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCCCCCNC1Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1
InChIInChI=1S/C20H25N3O2/c1-2-3-4-9-22-17-10-14-5-7-18(12-16(14)11-17)25-19-8-6-15(13-23-19)20(21)24/h5-8,12-13,17,22H,2-4,9-11H2,1H3,(H2,21,24)
InChIKeyLPNJDTPJGHPAGP-UHFFFAOYSA-N
XLogP3.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399
6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 69344197
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11416907
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
6-[[1-(2-ethylhexylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673474
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
6-butoxypyridine-3-carboxamide
CID 506622
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
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 66672841) is 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is CCCCCNC1Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2C1.
What is the InChIKey of 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is LPNJDTPJGHPAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-4-9-22-17-10-14-5-7-18(12-16(14)11-17)25-19-8-6-15(13-23-19)20(21)24/h5-8,12-13,17,22H,2-4,9-11H2,1H3,(H2,21,24).
What are the key properties of 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66672841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).