[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

C20H24ClN5O — CID 120892380

IUPAC[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCC1CCN(c2ccc(-c3nc(-c4ccc(CN)cc4)no3)cn2)CC1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-8-10-25(11-9-14)18-7-6-17(13-22-18)20-23-19(24-26-20)16-4-2-15(12-21)3-5-16;/h2-7,13-14H,8-12,21H2,1H3;1H
InChIKeyHQYWAHXJKXYIAK-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.92
Rot. Bonds4

About [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride

[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 120892380) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
PubChem CID120892380
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
SMILESCC1CCN(c2ccc(-c3nc(-c4ccc(CN)cc4)no3)cn2)CC1.Cl
InChIInChI=1S/C20H23N5O.ClH/c1-14-8-10-25(11-9-14)18-7-6-17(13-22-18)20-23-19(24-26-20)16-4-2-15(12-21)3-5-16;/h2-7,13-14H,8-12,21H2,1H3;1H
InChIKeyHQYWAHXJKXYIAK-UHFFFAOYSA-N
XLogP3.92
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride (CID 120892380) is [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is CC1CCN(c2ccc(-c3nc(-c4ccc(CN)cc4)no3)cn2)CC1.Cl.
What is the InChIKey of [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is HQYWAHXJKXYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.ClH/c1-14-8-10-25(11-9-14)18-7-6-17(13-22-18)20-23-19(24-26-20)16-4-2-15(12-21)3-5-16;/h2-7,13-14H,8-12,21H2,1H3;1H.
What are the key properties of [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride?
[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).