3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C18H17ClF3N3O2 — CID 109102080

IUPAC3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O2/c1-2-3-6-24-16(26)11-7-12(10-23-9-11)17(27)25-15-5-4-13(19)8-14(15)18(20,21)22/h4-5,7-10H,2-3,6H2,1H3,(H,24,26)(H,25,27)
InChIKeyQHFIMNVYICTQAA-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.54
Rot. Bonds6

About 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 109102080) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID109102080
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC Name3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O2/c1-2-3-6-24-16(26)11-7-12(10-23-9-11)17(27)25-15-5-4-13(19)8-14(15)18(20,21)22/h4-5,7-10H,2-3,6H2,1H3,(H,24,26)(H,25,27)
InChIKeyQHFIMNVYICTQAA-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109224708
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
5-[butyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109240451
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 109102080) is 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is QHFIMNVYICTQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c1-2-3-6-24-16(26)11-7-12(10-23-9-11)17(27)25-15-5-4-13(19)8-14(15)18(20,21)22/h4-5,7-10H,2-3,6H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 399.80 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).