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

C21H27N3O2 — CID 66672312

IUPAC6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(C)CCNCC1CCc2ccc(Oc3ccc(C(N)=O)cn3)cc21
InChIInChI=1S/C21H27N3O2/c1-14(2)9-10-23-12-16-4-3-15-5-7-18(11-19(15)16)26-20-8-6-17(13-24-20)21(22)25/h5-8,11,13-14,16,23H,3-4,9-10,12H2,1-2H3,(H2,22,25)
InChIKeyQDCVNUYJMGCAIV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.64
Rot. Bonds8

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

6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (PubChem CID 66672312) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
PubChem CID66672312
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
SMILESCC(C)CCNCC1CCc2ccc(Oc3ccc(C(N)=O)cn3)cc21
InChIInChI=1S/C21H27N3O2/c1-14(2)9-10-23-12-16-4-3-15-5-7-18(11-19(15)16)26-20-8-6-17(13-24-20)21(22)25/h5-8,11,13-14,16,23H,3-4,9-10,12H2,1-2H3,(H2,22,25)
InChIKeyQDCVNUYJMGCAIV-UHFFFAOYSA-N
XLogP3.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.64
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-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673374
6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 59830886
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11315060
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
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-[cyclopropyl(methyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673731
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide (CID 66672312) is 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is CC(C)CCNCC1CCc2ccc(Oc3ccc(C(N)=O)cn3)cc21.
What is the InChIKey of 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
The InChIKey is QDCVNUYJMGCAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)9-10-23-12-16-4-3-15-5-7-18(11-19(15)16)26-20-8-6-17(13-24-20)21(22)25/h5-8,11,13-14,16,23H,3-4,9-10,12H2,1-2H3,(H2,22,25).
What are the key properties of 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide?
6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 66672312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).