N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide

C15H14F3N3O — CID 113023033

IUPACN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C15H14F3N3O/c1-2-3-13(22)20-9-4-7-12(19-8-9)21-11-6-5-10(16)14(17)15(11)18/h4-8H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyXKTCIDMASOXMSU-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.98
Rot. Bonds5

About N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide

N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide (PubChem CID 113023033) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
PubChem CID113023033
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC NameN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C15H14F3N3O/c1-2-3-13(22)20-9-4-7-12(19-8-9)21-11-6-5-10(16)14(17)15(11)18/h4-8H,2-3H2,1H3,(H,19,21)(H,20,22)
InChIKeyXKTCIDMASOXMSU-UHFFFAOYSA-N
XLogP3.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
2-(4-chlorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023060
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
2-(4-methoxyphenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023061
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
CID 112990147
3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
CID 113037437
methyl 4-[[5-(butanoylamino)-2-pyridinyl]amino]benzoate
CID 113020725
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
CID 113018819
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide?
The IUPAC name of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide (CID 113023033) is N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide?
The InChIKey is XKTCIDMASOXMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-2-3-13(22)20-9-4-7-12(19-8-9)21-11-6-5-10(16)14(17)15(11)18/h4-8H,2-3H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide?
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide has a molecular weight of 309.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113023033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).