2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C19H14F3N3O2 — CID 24803559

IUPAC2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ccc(=O)[nH]c2n1
InChIInChI=1S/C19H14F3N3O2/c1-11-10-12(8-9-19(20,21)22)2-5-14(11)18(27)24-15-6-3-13-4-7-16(26)25-17(13)23-15/h2-10H,1H3,(H2,23,24,25,26,27)/b9-8+
InChIKeyPFDJPFLGSYCPSY-CMDGGOBGSA-N
MW373.33 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 24803559) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID24803559
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ccc(=O)[nH]c2n1
InChIInChI=1S/C19H14F3N3O2/c1-11-10-12(8-9-19(20,21)22)2-5-14(11)18(27)24-15-6-3-13-4-7-16(26)25-17(13)23-15/h2-10H,1H3,(H2,23,24,25,26,27)/b9-8+
InChIKeyPFDJPFLGSYCPSY-CMDGGOBGSA-N
XLogP4.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 24803559) is 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2ccc(=O)[nH]c2n1.
What is the InChIKey of 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is PFDJPFLGSYCPSY-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-11-10-12(8-9-19(20,21)22)2-5-14(11)18(27)24-15-6-3-13-4-7-16(26)25-17(13)23-15/h2-10H,1H3,(H2,23,24,25,26,27)/b9-8+.
What are the key properties of 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 24803559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).