N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide

C19H14F3N3O2 — CID 129305974

IUPACN-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(Oc2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C19H14F3N3O2/c1-2-16(26)24-10-12-11-25-18(17-15(12)4-3-9-23-17)27-14-7-5-13(6-8-14)19(20,21)22/h2-9,11H,1,10H2,(H,24,26)
InChIKeyXGADONNUFRFWSZ-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.24
Rot. Bonds5

About N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide

N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide (PubChem CID 129305974) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide
PubChem CID129305974
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cnc(Oc2ccc(C(F)(F)F)cc2)c2ncccc12
InChIInChI=1S/C19H14F3N3O2/c1-2-16(26)24-10-12-11-25-18(17-15(12)4-3-9-23-17)27-14-7-5-13(6-8-14)19(20,21)22/h2-9,11H,1,10H2,(H,24,26)
InChIKeyXGADONNUFRFWSZ-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide (CID 129305974) is N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide is C=CC(=O)NCc1cnc(Oc2ccc(C(F)(F)F)cc2)c2ncccc12.
What is the InChIKey of N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide?
The InChIKey is XGADONNUFRFWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-2-16(26)24-10-12-11-25-18(17-15(12)4-3-9-23-17)27-14-7-5-13(6-8-14)19(20,21)22/h2-9,11H,1,10H2,(H,24,26).
What are the key properties of N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide?
N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide has a molecular weight of 373.33 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[4-(trifluoromethyl)phenoxy]-1,7-naphthyridin-5-yl]methyl]prop-2-enamide is sourced from PubChem (CID 129305974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).