2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C19H14F3N3O — CID 68703609

IUPAC2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cnc2cccnc2c1
InChIInChI=1S/C19H14F3N3O/c1-12-9-13(6-7-19(20,21)22)4-5-15(12)18(26)25-14-10-17-16(24-11-14)3-2-8-23-17/h2-11H,1H3,(H,25,26)
InChIKeyRMFBMMZSTPOIFY-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.77
Rot. Bonds3

About 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide

2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 68703609) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID68703609
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cnc2cccnc2c1
InChIInChI=1S/C19H14F3N3O/c1-12-9-13(6-7-19(20,21)22)4-5-15(12)18(26)25-14-10-17-16(24-11-14)3-2-8-23-17/h2-11H,1H3,(H,25,26)
InChIKeyRMFBMMZSTPOIFY-UHFFFAOYSA-N
XLogP4.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 68703609) is 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide is Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cnc2cccnc2c1.
What is the InChIKey of 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is RMFBMMZSTPOIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-12-9-13(6-7-19(20,21)22)4-5-15(12)18(26)25-14-10-17-16(24-11-14)3-2-8-23-17/h2-11H,1H3,(H,25,26).
What are the key properties of 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 357.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 68703609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).