N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine

C19H21N5O — CID 133483331

IUPACN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCc1cccc(N2CCC(Nc3noc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-14-6-5-9-17(20-14)24-12-10-16(11-13-24)21-19-22-18(25-23-19)15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyHGZXIGITKDQGIA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.52
Rot. Bonds4

About N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133483331) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133483331
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESCc1cccc(N2CCC(Nc3noc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H21N5O/c1-14-6-5-9-17(20-14)24-12-10-16(11-13-24)21-19-22-18(25-23-19)15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyHGZXIGITKDQGIA-UHFFFAOYSA-N
XLogP3.52
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133481460
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483006
3,6-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrazin-2-amine
CID 133471381
N-(1-benzyltetrazol-5-yl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 166257245
3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 155948851
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 133394005
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
1-(6-methyl-2-pyridinyl)-N-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 126772656
1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642777
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133483331) is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine is Cc1cccc(N2CCC(Nc3noc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is HGZXIGITKDQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-6-5-9-17(20-14)24-12-10-16(11-13-24)21-19-22-18(25-23-19)15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 335.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133483331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).