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

C15H15N5O — CID 26409016

IUPACN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1
InChIInChI=1S/C15H15N5O/c1-11-18-15(21-19-11)13-5-6-14(17-9-13)20(2)10-12-4-3-7-16-8-12/h3-9H,10H2,1-2H3
InChIKeyIHTYFUBXEAAURN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.47
Rot. Bonds4

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

N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 26409016) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID26409016
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCc1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1
InChIInChI=1S/C15H15N5O/c1-11-18-15(21-19-11)13-5-6-14(17-9-13)20(2)10-12-4-3-7-16-8-12/h3-9H,10H2,1-2H3
InChIKeyIHTYFUBXEAAURN-UHFFFAOYSA-N
XLogP2.47
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 26409016) is N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is Cc1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1.
What is the InChIKey of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is IHTYFUBXEAAURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-18-15(21-19-11)13-5-6-14(17-9-13)20(2)10-12-4-3-7-16-8-12/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 26409016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).