6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C23H25F3N4O — CID 54759471

IUPAC6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCCCCN(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1
InChIInChI=1S/C23H25F3N4O/c1-4-5-10-30(3)17-12-18-15(2)11-20(29-21(18)19(13-17)23(24,25)26)22(31)28-14-16-8-6-7-9-27-16/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,28,31)
InChIKeySVKFGSDUAZTZCP-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.12
Rot. Bonds7

About 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 54759471) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID54759471
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCCCCN(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1
InChIInChI=1S/C23H25F3N4O/c1-4-5-10-30(3)17-12-18-15(2)11-20(29-21(18)19(13-17)23(24,25)26)22(31)28-14-16-8-6-7-9-27-16/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,28,31)
InChIKeySVKFGSDUAZTZCP-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 88577776
ethyl 6-hydroxy-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;6-methoxy-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 158327829
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 70649616
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-[butyl(methyl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304081
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 54759471) is 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is CCCCN(C)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.
What is the InChIKey of 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is SVKFGSDUAZTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-4-5-10-30(3)17-12-18-15(2)11-20(29-21(18)19(13-17)23(24,25)26)22(31)28-14-16-8-6-7-9-27-16/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,28,31).
What are the key properties of 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 54759471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).