[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol

C21H22N4O2 — CID 156814945

IUPAC[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
SMILESCc1ccc(OC2CCN(c3ccc(-c4ccccn4)nc3CO)C2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-8-21(23-12-15)27-16-9-11-25(13-16)20-7-6-18(24-19(20)14-26)17-4-2-3-10-22-17/h2-8,10,12,16,26H,9,11,13-14H2,1H3
InChIKeyWGDKCQFEYXYRIX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds5

About [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol

[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol (PubChem CID 156814945) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
PubChem CID156814945
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
SMILESCc1ccc(OC2CCN(c3ccc(-c4ccccn4)nc3CO)C2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-8-21(23-12-15)27-16-9-11-25(13-16)20-7-6-18(24-19(20)14-26)17-4-2-3-10-22-17/h2-8,10,12,16,26H,9,11,13-14H2,1H3
InChIKeyWGDKCQFEYXYRIX-UHFFFAOYSA-N
XLogP3.00
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol with MolForge

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Related Compounds

[3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814534
[6-(2-ethylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 156815636
[6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 156814722
2-[6-(2-methylphenyl)-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]ethanol
CID 156815292
[6-(2-methoxyphenyl)-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 166683249
[6-[2-(aminomethyl)phenyl]-3-[(3S)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 170384355
5-methyl-2-[(3S)-1-(2-phenylphenyl)pyrrolidin-3-yl]oxypyridine
CID 167682110
[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-5-phenylphenyl]methanediol
CID 167556214
[5-(2-ethoxyphenyl)-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 167574448
3-methyl-1-[2-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]butan-1-one
CID 167585567
[6-[2-(methyliminomethyl)phenyl]-3-[(3S)-3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
CID 170384297
[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol
CID 175337447

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol?
The IUPAC name of [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol (CID 156814945) is [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol?
The canonical SMILES for [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol is Cc1ccc(OC2CCN(c3ccc(-c4ccccn4)nc3CO)C2)nc1.
What is the InChIKey of [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol?
The InChIKey is WGDKCQFEYXYRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-8-21(23-12-15)27-16-9-11-25(13-16)20-7-6-18(24-19(20)14-26)17-4-2-3-10-22-17/h2-8,10,12,16,26H,9,11,13-14H2,1H3.
What are the key properties of [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol?
[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol has a molecular weight of 362.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol is sourced from PubChem (CID 156814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).