2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide

C39H34F6N6O2 — CID 158580225

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cc2cccnc2nc1C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O.C19H16F3N3O/c1-3-17(13-6-4-8-15(10-13)20(21,22)23)26-19(27)16-11-14-7-5-9-24-18(14)25-12(16)2;1-12-16(11-14-5-3-8-23-17(14)25-12)18(26)24-9-7-13-4-2-6-15(10-13)19(20,21)22/h4-11,17H,3H2,1-2H3,(H,26,27);2-6,8,10-11H,7,9H2,1H3,(H,24,26)
InChIKeyHTDWUEVOFVGNMA-UHFFFAOYSA-N
MW732.73 g/mol
LogP8.77
Rot. Bonds8

About 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 158580225) has the molecular formula C39H34F6N6O2 and a molecular weight of 732.73 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide
PubChem CID158580225
Molecular FormulaC39H34F6N6O2
Molecular Weight732.73 g/mol
Exact Mass732.26
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide
SMILESCCC(NC(=O)c1cc2cccnc2nc1C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O.C19H16F3N3O/c1-3-17(13-6-4-8-15(10-13)20(21,22)23)26-19(27)16-11-14-7-5-9-24-18(14)25-12(16)2;1-12-16(11-14-5-3-8-23-17(14)25-12)18(26)24-9-7-13-4-2-6-15(10-13)19(20,21)22/h4-11,17H,3H2,1-2H3,(H,26,27);2-6,8,10-11H,7,9H2,1H3,(H,24,26)
InChIKeyHTDWUEVOFVGNMA-UHFFFAOYSA-N
XLogP8.77
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.73
LogP ≤ 58.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide (CID 158580225) is 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide is CCC(NC(=O)c1cc2cccnc2nc1C)c1cccc(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is HTDWUEVOFVGNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O.C19H16F3N3O/c1-3-17(13-6-4-8-15(10-13)20(21,22)23)26-19(27)16-11-14-7-5-9-24-18(14)25-12(16)2;1-12-16(11-14-5-3-8-23-17(14)25-12)18(26)24-9-7-13-4-2-6-15(10-13)19(20,21)22/h4-11,17H,3H2,1-2H3,(H,26,27);2-6,8,10-11H,7,9H2,1H3,(H,24,26).
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 732.73 g/mol, XLogP of 8.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[1-[3-(trifluoromethyl)phenyl]propyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158580225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).