N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide

C14H10F3N3O2 — CID 135373759

IUPACN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H10F3N3O2/c1-2-12(21)20-10-5-11(8-18-7-10)22-13-4-3-9(6-19-13)14(15,16)17/h2-8H,1H2,(H,20,21)
InChIKeyIWMZOBFHCKEOOU-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.41
Rot. Bonds4

About N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide

N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide (PubChem CID 135373759) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide
PubChem CID135373759
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cncc(Oc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H10F3N3O2/c1-2-12(21)20-10-5-11(8-18-7-10)22-13-4-3-9(6-19-13)14(15,16)17/h2-8H,1H2,(H,20,21)
InChIKeyIWMZOBFHCKEOOU-UHFFFAOYSA-N
XLogP3.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 2800156
CID 2800156
CID 2800173
CID 2800173
CID 2800710
CID 2800710
CID 5712983
CID 5712983
CID 626536
CID 626536
CID 2800175
CID 2800175
CID 2800186
CID 2800186
CID 91800611
CID 91800611
CID 901895
CID 901895
CID 2654574
CID 2654574
CID 2800542
CID 2800542
CID 2800713
CID 2800713

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide (CID 135373759) is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cncc(Oc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide?
The InChIKey is IWMZOBFHCKEOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-2-12(21)20-10-5-11(8-18-7-10)22-13-4-3-9(6-19-13)14(15,16)17/h2-8H,1H2,(H,20,21).
What are the key properties of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide?
N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide has a molecular weight of 309.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 135373759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).