5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine

C20H22N4O2 — CID 45231593

IUPAC5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESCOCCc1noc(-c2ccc(NC3CCCc4ccccc43)nc2)n1
InChIInChI=1S/C20H22N4O2/c1-25-12-11-19-23-20(26-24-19)15-9-10-18(21-13-15)22-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,13,17H,4,6,8,11-12H2,1H3,(H,21,22)
InChIKeyHQVQJKOUZCZXPW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds6

About 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine

5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine (PubChem CID 45231593) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
PubChem CID45231593
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESCOCCc1noc(-c2ccc(NC3CCCc4ccccc43)nc2)n1
InChIInChI=1S/C20H22N4O2/c1-25-12-11-19-23-20(26-24-19)15-9-10-18(21-13-15)22-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,13,17H,4,6,8,11-12H2,1H3,(H,21,22)
InChIKeyHQVQJKOUZCZXPW-UHFFFAOYSA-N
XLogP3.81
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 46207514
5-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridin-2-amine
CID 169260360
3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71974141
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 70755273
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine (CID 45231593) is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine is COCCc1noc(-c2ccc(NC3CCCc4ccccc43)nc2)n1.
What is the InChIKey of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The InChIKey is HQVQJKOUZCZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-12-11-19-23-20(26-24-19)15-9-10-18(21-13-15)22-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-10,13,17H,4,6,8,11-12H2,1H3,(H,21,22).
What are the key properties of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine?
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine has a molecular weight of 350.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine is sourced from PubChem (CID 45231593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).