3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine

C20H18N4O2 — CID 133319552

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCOc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4O2/c1-14-23-20(26-24-14)17-9-5-11-21-19(17)22-12-13-25-18-10-4-7-15-6-2-3-8-16(15)18/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyXNWWURNQUIWEOJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.08
Rot. Bonds6

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

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine (PubChem CID 133319552) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine
PubChem CID133319552
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCCOc2cccc3ccccc23)n1
InChIInChI=1S/C20H18N4O2/c1-14-23-20(26-24-14)17-9-5-11-21-19(17)22-12-13-25-18-10-4-7-15-6-2-3-8-16(15)18/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyXNWWURNQUIWEOJ-UHFFFAOYSA-N
XLogP4.08
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyridin-2-amine
CID 133317461
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
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-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyridin-2-amine
CID 71913140
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 86802821
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-(2-methylphenyl)ethanol
CID 133342901
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 133317350
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-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 133317946
(2R)-2-methyl-1-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-3-methylsulfanylpropan-2-ol
CID 97009062
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
CID 97119011
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133321160

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine (CID 133319552) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine is Cc1noc(-c2cccnc2NCCOc2cccc3ccccc23)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine?
The InChIKey is XNWWURNQUIWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-23-20(26-24-14)17-9-5-11-21-19(17)22-12-13-25-18-10-4-7-15-6-2-3-8-16(15)18/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-naphthalen-1-yloxyethyl)pyridin-2-amine is sourced from PubChem (CID 133319552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).