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

C20H11F6N5 — CID 46204201

IUPAC2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cncc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-17(29-8-11)31-16-10-27-9-15-12(16)4-5-14(30-15)18-13(20(24,25)26)2-1-7-28-18/h1-10H,(H,29,31)
InChIKeyQJKXKADYJBPRRS-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.87
Rot. Bonds3

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

2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine (PubChem CID 46204201) has the molecular formula C20H11F6N5 and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine
PubChem CID46204201
Molecular FormulaC20H11F6N5
Molecular Weight435.33 g/mol
Exact Mass435.09
IUPAC Name2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine
SMILESFC(F)(F)c1ccc(Nc2cncc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-17(29-8-11)31-16-10-27-9-15-12(16)4-5-14(30-15)18-13(20(24,25)26)2-1-7-28-18/h1-10H,(H,29,31)
InChIKeyQJKXKADYJBPRRS-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 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine?
The IUPAC name of 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine (CID 46204201) is 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine is FC(F)(F)c1ccc(Nc2cncc3nc(-c4ncccc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine?
The InChIKey is QJKXKADYJBPRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-17(29-8-11)31-16-10-27-9-15-12(16)4-5-14(30-15)18-13(20(24,25)26)2-1-7-28-18/h1-10H,(H,29,31).
What are the key properties of 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine?
2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-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 2-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridin-5-amine is sourced from PubChem (CID 46204201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).