pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate

C17H11F3N4O2 — CID 11617441

IUPACpyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate
SMILESO=C(Oc1cccnc1)c1cccnc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-9-11(5-8-22-14)24-15-13(4-2-7-23-15)16(25)26-12-3-1-6-21-10-12/h1-10H,(H,22,23,24)
InChIKeyMIPNSULCEZNCNG-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.85
Rot. Bonds4

About pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate

pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate (PubChem CID 11617441) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate
PubChem CID11617441
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC Namepyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate
SMILESO=C(Oc1cccnc1)c1cccnc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-9-11(5-8-22-14)24-15-13(4-2-7-23-15)16(25)26-12-3-1-6-21-10-12/h1-10H,(H,22,23,24)
InChIKeyMIPNSULCEZNCNG-UHFFFAOYSA-N
XLogP3.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate?
The IUPAC name of pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate (CID 11617441) is pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate?
The canonical SMILES for pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate is O=C(Oc1cccnc1)c1cccnc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate?
The InChIKey is MIPNSULCEZNCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)14-9-11(5-8-22-14)24-15-13(4-2-7-23-15)16(25)26-12-3-1-6-21-10-12/h1-10H,(H,22,23,24).
What are the key properties of pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate?
pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate has a molecular weight of 360.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 11617441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).