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

C19H13F3N6O — CID 71569459

IUPAC6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CNc3cccc(-c4cccnc4)n3)nc2)no1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)13-6-7-14(24-10-13)11-25-16-5-1-4-15(26-16)12-3-2-8-23-9-12/h1-10H,11H2,(H,25,26)
InChIKeyXZJBJLALBVBYTD-UHFFFAOYSA-N
MW398.35 g/mol
LogP4.22
Rot. Bonds5

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

6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine (PubChem CID 71569459) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine
PubChem CID71569459
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Name6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CNc3cccc(-c4cccnc4)n3)nc2)no1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)13-6-7-14(24-10-13)11-25-16-5-1-4-15(26-16)12-3-2-8-23-9-12/h1-10H,11H2,(H,25,26)
InChIKeyXZJBJLALBVBYTD-UHFFFAOYSA-N
XLogP4.22
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(5-fluoro-2-pyridinyl)methyl]-6-pyridin-3-ylpyridin-2-amine
CID 171680422
3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155192078
N-ethyl-6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridin-2-amine
CID 152734484
3-(1,3-oxazol-4-ylmethylamino)-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155191914
3-(2-methoxyethylamino)-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155708332
N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62817975
2-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]acetamide
CID 137366430
3-[4-(trifluoromethoxy)anilino]-4-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155191876
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198
N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 138687178
N-methoxy-2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 158004258
N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]propanamide
CID 129116524

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine (CID 71569459) is 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine is FC(F)(F)c1nc(-c2ccc(CNc3cccc(-c4cccnc4)n3)nc2)no1.
What is the InChIKey of 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is XZJBJLALBVBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)18-27-17(28-29-18)13-6-7-14(24-10-13)11-25-16-5-1-4-15(26-16)12-3-2-8-23-9-12/h1-10H,11H2,(H,25,26).
What are the key properties of 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine?
6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 398.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 71569459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).