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

C23H24N4O2 — CID 28766355

IUPAC[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccccc2)nc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(27-13-10-20(11-14-27)29-21-7-4-12-24-17-21)19-8-9-22(26-16-19)25-15-18-5-2-1-3-6-18/h1-9,12,16-17,20H,10-11,13-15H2,(H,25,26)
InChIKeyQSXAMMLTVFBRFS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.77
Rot. Bonds6

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

[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 28766355) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID28766355
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccccc2)nc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(27-13-10-20(11-14-27)29-21-7-4-12-24-17-21)19-8-9-22(26-16-19)25-15-18-5-2-1-3-6-18/h1-9,12,16-17,20H,10-11,13-15H2,(H,25,26)
InChIKeyQSXAMMLTVFBRFS-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[6-(2-methylsulfanylethylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 26405317
[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
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 29024042
[6-[methyl(propyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56743978
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
4-phenyl-1-(4-pyridin-3-yloxypiperidin-1-yl)butan-1-one
CID 71801294
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963

Frequently Asked Questions

What is the IUPAC name of [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 28766355) is [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C(c1ccc(NCc2ccccc2)nc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is QSXAMMLTVFBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(27-13-10-20(11-14-27)29-21-7-4-12-24-17-21)19-8-9-22(26-16-19)25-15-18-5-2-1-3-6-18/h1-9,12,16-17,20H,10-11,13-15H2,(H,25,26).
What are the key properties of [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 28766355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).