N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

C15H12F3N5O — CID 71577286

IUPACN-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(CNc2ccc(-c3noc(C(F)(F)F)n3)cn2)cn1
InChIInChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyABHUNZDMYMZRIS-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.47
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine

N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 71577286) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID71577286
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESCc1ccc(CNc2ccc(-c3noc(C(F)(F)F)n3)cn2)cn1
InChIInChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21)
InChIKeyABHUNZDMYMZRIS-UHFFFAOYSA-N
XLogP3.47
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 71577286) is N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Cc1ccc(CNc2ccc(-c3noc(C(F)(F)F)n3)cn2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is ABHUNZDMYMZRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-9-2-3-10(6-19-9)7-20-12-5-4-11(8-21-12)13-22-14(24-23-13)15(16,17)18/h2-6,8H,7H2,1H3,(H,20,21).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 335.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 71577286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).