N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide

C18H20F3N3O — CID 109175363

IUPACN-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H20F3N3O/c1-2-3-4-10-23-17(25)13-9-11-22-16(12-13)24-15-7-5-14(6-8-15)18(19,20)21/h5-9,11-12H,2-4,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVBQPPIFKLOYAT-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.76
Rot. Bonds7

About N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide

N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109175363) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109175363
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H20F3N3O/c1-2-3-4-10-23-17(25)13-9-11-22-16(12-13)24-15-7-5-14(6-8-15)18(19,20)21/h5-9,11-12H,2-4,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVBQPPIFKLOYAT-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.76
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

2-(4-bromo-3-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175383
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109165508
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
N-pentylpyridine-4-carboxamide
CID 2307296
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115492102
N-hexylpyridine-4-carboxamide
CID 3423732
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109175363) is N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide is CCCCCNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is BVBQPPIFKLOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-3-4-10-23-17(25)13-9-11-22-16(12-13)24-15-7-5-14(6-8-15)18(19,20)21/h5-9,11-12H,2-4,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109175363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).