methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C14H14F3N3O4S — CID 66601708

IUPACmethyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCNC(c1nc2nc(C(F)(F)F)ccc2cc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O4S/c1-18-12(25(3,22)23)10-8(13(21)24-2)6-7-4-5-9(14(15,16)17)19-11(7)20-10/h4-6,12,18H,1-3H3
InChIKeyULZDFQFESURSBW-UHFFFAOYSA-N
MW377.34 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 66601708) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID66601708
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC Namemethyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCNC(c1nc2nc(C(F)(F)F)ccc2cc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C14H14F3N3O4S/c1-18-12(25(3,22)23)10-8(13(21)24-2)6-7-4-5-9(14(15,16)17)19-11(7)20-10/h4-6,12,18H,1-3H3
InChIKeyULZDFQFESURSBW-UHFFFAOYSA-N
XLogP1.70
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 66601708) is methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CNC(c1nc2nc(C(F)(F)F)ccc2cc1C(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is ULZDFQFESURSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-18-12(25(3,22)23)10-8(13(21)24-2)6-7-4-5-9(14(15,16)17)19-11(7)20-10/h4-6,12,18H,1-3H3.
What are the key properties of methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 377.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methylamino(methylsulfonyl)methyl]-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66601708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).