[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C20H26N4O4 — CID 56741251

IUPAC[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCN(CC(O)CO)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C20H26N4O4/c1-23(13-16(26)14-25)19-5-4-15(11-22-19)20(27)24-9-6-17(7-10-24)28-18-3-2-8-21-12-18/h2-5,8,11-12,16-17,25-26H,6-7,9-10,13-14H2,1H3
InChIKeyXNEROZQZDOSCPO-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.95
Rot. Bonds7

About [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 56741251) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID56741251
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESCN(CC(O)CO)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1
InChIInChI=1S/C20H26N4O4/c1-23(13-16(26)14-25)19-5-4-15(11-22-19)20(27)24-9-6-17(7-10-24)28-18-3-2-8-21-12-18/h2-5,8,11-12,16-17,25-26H,6-7,9-10,13-14H2,1H3
InChIKeyXNEROZQZDOSCPO-UHFFFAOYSA-N
XLogP0.95
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 56741251) is [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is CN(CC(O)CO)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1.
What is the InChIKey of [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is XNEROZQZDOSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-23(13-16(26)14-25)19-5-4-15(11-22-19)20(27)24-9-6-17(7-10-24)28-18-3-2-8-21-12-18/h2-5,8,11-12,16-17,25-26H,6-7,9-10,13-14H2,1H3.
What are the key properties of [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
[6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 386.45 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2,3-dihydroxypropyl(methyl)amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 56741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).