N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride

C18H22ClN5O — CID 120866264

IUPACN-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(N(C)c3ccccc3)nc2)n1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-13(19-2)11-16-21-18(24-22-16)14-9-10-17(20-12-14)23(3)15-7-5-4-6-8-15;/h4-10,12-13,19H,11H2,1-3H3;1H
InChIKeyQTPGLTJPPDJXDF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.47
Rot. Bonds6

About N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride

N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride (PubChem CID 120866264) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
PubChem CID120866264
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(N(C)c3ccccc3)nc2)n1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-13(19-2)11-16-21-18(24-22-16)14-9-10-17(20-12-14)23(3)15-7-5-4-6-8-15;/h4-10,12-13,19H,11H2,1-3H3;1H
InChIKeyQTPGLTJPPDJXDF-UHFFFAOYSA-N
XLogP3.47
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868245
N-ethyl-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylaniline;hydrochloride
CID 120868223
N-methyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylbenzenesulfonamide;hydrochloride
CID 120869121
1-[5-(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867371
1-[5-(1-benzylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867235
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-methyl-1-[5-(1-methyl-5-phenylpyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868941
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
N-methyl-1-[5-(2-methyl-6-phenyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865067
N-methyl-1-[5-[4-(pyridin-4-ylmethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869151
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride (CID 120866264) is N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride is CNC(C)Cc1noc(-c2ccc(N(C)c3ccccc3)nc2)n1.Cl.
What is the InChIKey of N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride?
The InChIKey is QTPGLTJPPDJXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.ClH/c1-13(19-2)11-16-21-18(24-22-16)14-9-10-17(20-12-14)23(3)15-7-5-4-6-8-15;/h4-10,12-13,19H,11H2,1-3H3;1H.
What are the key properties of N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride?
N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120866264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).