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

C14H19N5O — CID 133383380

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NC3CCN(C)CC3)c2)n1
InChIInChI=1S/C14H19N5O/c1-10-16-14(20-18-10)11-3-6-15-13(9-11)17-12-4-7-19(2)8-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeyTTXNKVWGNBSQRJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.95
Rot. Bonds3

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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (PubChem CID 133383380) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
PubChem CID133383380
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NC3CCN(C)CC3)c2)n1
InChIInChI=1S/C14H19N5O/c1-10-16-14(20-18-10)11-3-6-15-13(9-11)17-12-4-7-19(2)8-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,17)
InChIKeyTTXNKVWGNBSQRJ-UHFFFAOYSA-N
XLogP1.95
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine (CID 133383380) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is Cc1noc(-c2ccnc(NC3CCN(C)CC3)c2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is TTXNKVWGNBSQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-16-14(20-18-10)11-3-6-15-13(9-11)17-12-4-7-19(2)8-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,17).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 133383380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).