(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate

C23H14F6N6O3 — CID 87303253

IUPAC(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C23H14F6N6O3/c24-22(25,26)11-1-6-18(32-9-11)33-14-7-8-31-20-12(14)2-4-15(35-20)19-13(23(27,28)29)3-5-16(34-19)21(37)38-10-17(30)36/h1-9H,10H2,(H2,30,36)(H,31,32,33,35)
InChIKeyCMOFCQZAOMVRJW-UHFFFAOYSA-N
MW536.39 g/mol
LogP4.51
Rot. Bonds6

About (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate

(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate (PubChem CID 87303253) has the molecular formula C23H14F6N6O3 and a molecular weight of 536.39 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate
PubChem CID87303253
Molecular FormulaC23H14F6N6O3
Molecular Weight536.39 g/mol
Exact Mass536.10
IUPAC Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1
InChIInChI=1S/C23H14F6N6O3/c24-22(25,26)11-1-6-18(32-9-11)33-14-7-8-31-20-12(14)2-4-15(35-20)19-13(23(27,28)29)3-5-16(34-19)21(37)38-10-17(30)36/h1-9H,10H2,(H2,30,36)(H,31,32,33,35)
InChIKeyCMOFCQZAOMVRJW-UHFFFAOYSA-N
XLogP4.51
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate (CID 87303253) is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate is NC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate?
The InChIKey is CMOFCQZAOMVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N6O3/c24-22(25,26)11-1-6-18(32-9-11)33-14-7-8-31-20-12(14)2-4-15(35-20)19-13(23(27,28)29)3-5-16(34-19)21(37)38-10-17(30)36/h1-9H,10H2,(H2,30,36)(H,31,32,33,35).
What are the key properties of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate?
(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate has a molecular weight of 536.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 87303253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).