7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C20H11F6N5 — CID 46203864

IUPAC7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
InChIKeyZDSWMSRFTNIEJV-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.87
Rot. Bonds3

About 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 46203864) has the molecular formula C20H11F6N5 and a molecular weight of 435.33 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID46203864
Molecular FormulaC20H11F6N5
Molecular Weight435.33 g/mol
Exact Mass435.09
IUPAC Name7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
InChIKeyZDSWMSRFTNIEJV-UHFFFAOYSA-N
XLogP5.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 46203864) is 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is ZDSWMSRFTNIEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31).
What are the key properties of 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 435.33 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 46203864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).