4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H21F3N2O2 — CID 57308371

IUPAC4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCOc1cc(C)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-4-5-9-26-16-10-12(2)23-13(3)17(16)18(25)24-15-8-6-7-14(11-15)19(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,24,25)
InChIKeyVYVWQVUQYKXBQP-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.15
Rot. Bonds6

About 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 57308371) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID57308371
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCOc1cc(C)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-4-5-9-26-16-10-12(2)23-13(3)17(16)18(25)24-15-8-6-7-14(11-15)19(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,24,25)
InChIKeyVYVWQVUQYKXBQP-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
2-butoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide
CID 26168264
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844272
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833824
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 57308371) is 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCCOc1cc(C)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VYVWQVUQYKXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-4-5-9-26-16-10-12(2)23-13(3)17(16)18(25)24-15-8-6-7-14(11-15)19(20,21)22/h6-8,10-11H,4-5,9H2,1-3H3,(H,24,25).
What are the key properties of 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 57308371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).