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

C18H17F3N4S — CID 24734578

IUPACN-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc2c(NC3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H17F3N4S/c19-18(20,21)15-2-1-13-16(25-15)14(11-5-8-26-10-11)9-23-17(13)24-12-3-6-22-7-4-12/h1-2,5,8-10,12,22H,3-4,6-7H2,(H,23,24)
InChIKeyPYPUSIUERVQWRO-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.54
Rot. Bonds3

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

N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (PubChem CID 24734578) has the molecular formula C18H17F3N4S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
PubChem CID24734578
Molecular FormulaC18H17F3N4S
Molecular Weight378.42 g/mol
Exact Mass378.11
IUPAC NameN-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc2c(NC3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C18H17F3N4S/c19-18(20,21)15-2-1-13-16(25-15)14(11-5-8-26-10-11)9-23-17(13)24-12-3-6-22-7-4-12/h1-2,5,8-10,12,22H,3-4,6-7H2,(H,23,24)
InChIKeyPYPUSIUERVQWRO-UHFFFAOYSA-N
XLogP4.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The IUPAC name of N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine (CID 24734578) is N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine.
What is the SMILES notation for N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The canonical SMILES for N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is FC(F)(F)c1ccc2c(NC3CCNCC3)ncc(-c3ccsc3)c2n1.
What is the InChIKey of N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
The InChIKey is PYPUSIUERVQWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4S/c19-18(20,21)15-2-1-13-16(25-15)14(11-5-8-26-10-11)9-23-17(13)24-12-3-6-22-7-4-12/h1-2,5,8-10,12,22H,3-4,6-7H2,(H,23,24).
What are the key properties of N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine?
N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine has a molecular weight of 378.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-amine is sourced from PubChem (CID 24734578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).