3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine

C13H16N6O — CID 171689533

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NN=C2CCNCC2)n1
InChIInChI=1S/C13H16N6O/c1-9-16-13(20-19-9)11-3-2-6-15-12(11)18-17-10-4-7-14-8-5-10/h2-3,6,14H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyPNHSPESQKNNXGJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.59
Rot. Bonds3

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine (PubChem CID 171689533) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine
PubChem CID171689533
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NN=C2CCNCC2)n1
InChIInChI=1S/C13H16N6O/c1-9-16-13(20-19-9)11-3-2-6-15-12(11)18-17-10-4-7-14-8-5-10/h2-3,6,14H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyPNHSPESQKNNXGJ-UHFFFAOYSA-N
XLogP1.59
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 133439384
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
CID 133342901
4-fluoro-N-[3-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propyl]benzamide
CID 133321671
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
CID 133322060
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140
4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
CID 71924550
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119011
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 97055674
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
CID 133317461

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine (CID 171689533) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine is Cc1noc(-c2cccnc2NN=C2CCNCC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine?
The InChIKey is PNHSPESQKNNXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-16-13(20-19-9)11-3-2-6-15-12(11)18-17-10-4-7-14-8-5-10/h2-3,6,14H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-4-ylideneamino)pyridin-2-amine is sourced from PubChem (CID 171689533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).