N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine

C19H19F3N4S — CID 24735167

IUPACN-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc2c(NCC3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C19H19F3N4S/c20-19(21,22)16-2-1-14-17(26-16)15(13-5-8-27-11-13)10-25-18(14)24-9-12-3-6-23-7-4-12/h1-2,5,8,10-12,23H,3-4,6-7,9H2,(H,24,25)
InChIKeyZUXQUBMVHYHDGK-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.79
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine

N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (PubChem CID 24735167) has the molecular formula C19H19F3N4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
PubChem CID24735167
Molecular FormulaC19H19F3N4S
Molecular Weight392.45 g/mol
Exact Mass392.13
IUPAC NameN-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc2c(NCC3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C19H19F3N4S/c20-19(21,22)16-2-1-14-17(26-16)15(13-5-8-27-11-13)10-25-18(14)24-9-12-3-6-23-7-4-12/h1-2,5,8,10-12,23H,3-4,6-7,9H2,(H,24,25)
InChIKeyZUXQUBMVHYHDGK-UHFFFAOYSA-N
XLogP4.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (CID 24735167) is N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is FC(F)(F)c1ccc2c(NCC3CCNCC3)ncc(-c3ccsc3)c2n1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The InChIKey is ZUXQUBMVHYHDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4S/c20-19(21,22)16-2-1-14-17(26-16)15(13-5-8-27-11-13)10-25-18(14)24-9-12-3-6-23-7-4-12/h1-2,5,8,10-12,23H,3-4,6-7,9H2,(H,24,25).
What are the key properties of N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine has a molecular weight of 392.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is sourced from PubChem (CID 24735167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).