6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide

C24H24F3N3O — CID 141333563

IUPAC6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cn1
InChIInChI=1S/C24H24F3N3O/c1-15(2)13-22(21-12-7-18(14-29-21)23(28)31)30-20-10-5-17(6-11-20)16-3-8-19(9-4-16)24(25,26)27/h3-12,14-15,22,30H,13H2,1-2H3,(H2,28,31)
InChIKeyGSQFRIFBDCBHES-UHFFFAOYSA-N
MW427.47 g/mol
LogP6.07
Rot. Bonds7

About 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide

6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide (PubChem CID 141333563) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
PubChem CID141333563
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cn1
InChIInChI=1S/C24H24F3N3O/c1-15(2)13-22(21-12-7-18(14-29-21)23(28)31)30-20-10-5-17(6-11-20)16-3-8-19(9-4-16)24(25,26)27/h3-12,14-15,22,30H,13H2,1-2H3,(H2,28,31)
InChIKeyGSQFRIFBDCBHES-UHFFFAOYSA-N
XLogP6.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
CID 141172180
4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
CID 141172178
6-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67981033
3-[[6-[(1S)-3-methyl-1-[[6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]amino]butyl]pyridine-3-carbonyl]amino]propanoic acid
CID 90654055
6-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]anilino]-3-methylbutyl]-2-methylpyridine-3-carboxylic acid
CID 151190192
3-[[5-[[(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoic acid
CID 57388937
6-[[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67980959
ethyl 3-[[5-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoate
CID 67980817
ethyl 3-[[5-[[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoate
CID 67980658
4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128231
3-[[6-[[3-methyl-1-[5-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]butyl]amino]pyridine-3-carbonyl]amino]propanoic acid
CID 67980736
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide (CID 141333563) is 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide is CC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cn1.
What is the InChIKey of 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide?
The InChIKey is GSQFRIFBDCBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-15(2)13-22(21-12-7-18(14-29-21)23(28)31)30-20-10-5-17(6-11-20)16-3-8-19(9-4-16)24(25,26)27/h3-12,14-15,22,30H,13H2,1-2H3,(H2,28,31).
What are the key properties of 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide?
6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 141333563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).