6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C18H20F3N3O — CID 109161183

IUPAC6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H20F3N3O/c1-12(2)8-9-22-16-7-6-13(11-23-16)17(25)24-15-5-3-4-14(10-15)18(19,20)21/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAUNVPDAFKFASRA-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.81
Rot. Bonds6

About 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109161183) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109161183
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H20F3N3O/c1-12(2)8-9-22-16-7-6-13(11-23-16)17(25)24-15-5-3-4-14(10-15)18(19,20)21/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAUNVPDAFKFASRA-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161212
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
6-(3,3-dimethylbut-1-ynyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11544749
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
N-(4-cyanophenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109164420
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
N-(3-acetamidophenyl)-5-(3-methylbutylamino)pyrazine-2-carboxamide
CID 109287947

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109161183) is 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is AUNVPDAFKFASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-12(2)8-9-22-16-7-6-13(11-23-16)17(25)24-15-5-3-4-14(10-15)18(19,20)21/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109161183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).