ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate

C14H14F3N3O2 — CID 2745338

IUPACethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N(C)C)nccc2nc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)9-7-8-10(19-11(9)14(15,16)17)5-6-18-12(8)20(2)3/h5-7H,4H2,1-3H3
InChIKeyVFNZENRXAKYSSE-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.89
Rot. Bonds3

About ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate

ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate (PubChem CID 2745338) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
PubChem CID2745338
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Nameethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N(C)C)nccc2nc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)9-7-8-10(19-11(9)14(15,16)17)5-6-18-12(8)20(2)3/h5-7H,4H2,1-3H3
InChIKeyVFNZENRXAKYSSE-UHFFFAOYSA-N
XLogP2.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate 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 ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate (CID 2745338) is ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(N(C)C)nccc2nc1C(F)(F)F.
What is the InChIKey of ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
The InChIKey is VFNZENRXAKYSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-4-22-13(21)9-7-8-10(19-11(9)14(15,16)17)5-6-18-12(8)20(2)3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate?
ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate has a molecular weight of 313.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)-2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 2745338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).