N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine

C20H17F3N2O2S — CID 123687066

IUPACN-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(C2(NCc3ccsc3)CCOc3cccnc32)cc1
InChIInChI=1S/C20H17F3N2O2S/c21-20(22,23)27-16-5-3-15(4-6-16)19(25-12-14-7-11-28-13-14)8-10-26-17-2-1-9-24-18(17)19/h1-7,9,11,13,25H,8,10,12H2
InChIKeyXEVWNOZQLWHIKL-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.86
Rot. Bonds5

About N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine

N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine (PubChem CID 123687066) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
PubChem CID123687066
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC NameN-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(C2(NCc3ccsc3)CCOc3cccnc32)cc1
InChIInChI=1S/C20H17F3N2O2S/c21-20(22,23)27-16-5-3-15(4-6-16)19(25-12-14-7-11-28-13-14)8-10-26-17-2-1-9-24-18(17)19/h1-7,9,11,13,25H,8,10,12H2
InChIKeyXEVWNOZQLWHIKL-UHFFFAOYSA-N
XLogP4.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine (CID 123687066) is N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine is FC(F)(F)Oc1ccc(C2(NCc3ccsc3)CCOc3cccnc32)cc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
The InChIKey is XEVWNOZQLWHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c21-20(22,23)27-16-5-3-15(4-6-16)19(25-12-14-7-11-28-13-14)8-10-26-17-2-1-9-24-18(17)19/h1-7,9,11,13,25H,8,10,12H2.
What are the key properties of N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine?
N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine has a molecular weight of 406.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 123687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).