7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one

C28H30F3N5O2 — CID 118401242

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2C(F)(F)F)c(=O)n3CC)nc1
InChIInChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34)
InChIKeyGIMGOZSLEXIZEN-UHFFFAOYSA-N
MW525.58 g/mol
LogP5.96
Rot. Bonds10

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one (PubChem CID 118401242) has the molecular formula C28H30F3N5O2 and a molecular weight of 525.58 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one
PubChem CID118401242
Molecular FormulaC28H30F3N5O2
Molecular Weight525.58 g/mol
Exact Mass525.24
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2C(F)(F)F)c(=O)n3CC)nc1
InChIInChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34)
InChIKeyGIMGOZSLEXIZEN-UHFFFAOYSA-N
XLogP5.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one (CID 118401242) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2C(F)(F)F)c(=O)n3CC)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one?
The InChIKey is GIMGOZSLEXIZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O2/c1-4-35(5-2)13-14-38-20-11-12-25(33-18-20)34-26-16-24-19(17-32-26)15-22(27(37)36(24)6-3)21-9-7-8-10-23(21)28(29,30)31/h7-12,15-18H,4-6,13-14H2,1-3H3,(H,32,33,34).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one has a molecular weight of 525.58 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-[2-(trifluoromethyl)phenyl]-1,6-naphthyridin-2-one is sourced from PubChem (CID 118401242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).