[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C19H24N4O2S — CID 26405317

IUPAC[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCSCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O2S/c1-26-12-9-21-18-5-4-15(13-22-18)19(24)23-10-6-16(7-11-23)25-17-3-2-8-20-14-17/h2-5,8,13-14,16H,6-7,9-12H2,1H3,(H,21,22)
InChIKeyHKMZDKGXYKINNK-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.94
Rot. Bonds7

About [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 26405317) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID26405317
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCSCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C19H24N4O2S/c1-26-12-9-21-18-5-4-15(13-22-18)19(24)23-10-6-16(7-11-23)25-17-3-2-8-20-14-17/h2-5,8,13-14,16H,6-7,9-12H2,1H3,(H,21,22)
InChIKeyHKMZDKGXYKINNK-UHFFFAOYSA-N
XLogP2.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445
[6-[[(1R)-1-cyclopropylethyl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28851005
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 26405317) is [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is CSCCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1.
What is the InChIKey of [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is HKMZDKGXYKINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-26-12-9-21-18-5-4-15(13-22-18)19(24)23-10-6-16(7-11-23)25-17-3-2-8-20-14-17/h2-5,8,13-14,16H,6-7,9-12H2,1H3,(H,21,22).
What are the key properties of [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 372.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 26405317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).