3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

C19H19F3N4O4 — CID 134132706

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C19H19F3N4O4/c1-5-15-25-26-18(30-15)11-6-7-14(19(20,21)22)24-17(11)23-10-8-12(27-2)16(29-4)13(9-10)28-3/h6-9H,5H2,1-4H3,(H,23,24)
InChIKeyWBKIORHUHPHDBK-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.48
Rot. Bonds7

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (PubChem CID 134132706) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
PubChem CID134132706
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
SMILESCCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cc(OC)c(OC)c(OC)c2)o1
InChIInChI=1S/C19H19F3N4O4/c1-5-15-25-26-18(30-15)11-6-7-14(19(20,21)22)24-17(11)23-10-8-12(27-2)16(29-4)13(9-10)28-3/h6-9H,5H2,1-4H3,(H,23,24)
InChIKeyWBKIORHUHPHDBK-UHFFFAOYSA-N
XLogP4.48
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 24882415
2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 44456614
N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 137303227
N-[(E)-benzylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 134139172
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134148010
4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134150104
N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 134154222
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 90667493
N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide
CID 155811609
2-(4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)quinoline-3-carboxamide
CID 155814749
5-[2-(4-fluoroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 90667483

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine (CID 134132706) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is CCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cc(OC)c(OC)c(OC)c2)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
The InChIKey is WBKIORHUHPHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c1-5-15-25-26-18(30-15)11-6-7-14(19(20,21)22)24-17(11)23-10-8-12(27-2)16(29-4)13(9-10)28-3/h6-9H,5H2,1-4H3,(H,23,24).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine has a molecular weight of 424.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 134132706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).