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

C14H19N5O — CID 71564469

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(NCC3CCCNC3)nc2)n1
InChIInChI=1S/C14H19N5O/c1-10-18-14(20-19-10)12-4-5-13(17-9-12)16-8-11-3-2-6-15-7-11/h4-5,9,11,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyXCQNKOXVWJOASM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.85
Rot. Bonds4

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

5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine (PubChem CID 71564469) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
PubChem CID71564469
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(NCC3CCCNC3)nc2)n1
InChIInChI=1S/C14H19N5O/c1-10-18-14(20-19-10)12-4-5-13(17-9-12)16-8-11-3-2-6-15-7-11/h4-5,9,11,15H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyXCQNKOXVWJOASM-UHFFFAOYSA-N
XLogP1.85
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 45231546
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 56768328
1-[(3R)-3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 28697156
N-(azetidin-3-ylmethyl)-5-methylpyridin-2-amine
CID 130987495
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine (CID 71564469) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine is Cc1noc(-c2ccc(NCC3CCCNC3)nc2)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is XCQNKOXVWJOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-18-14(20-19-10)12-4-5-13(17-9-12)16-8-11-3-2-6-15-7-11/h4-5,9,11,15H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 71564469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).