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

C14H12F3N3O — CID 113023032

IUPACN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C14H12F3N3O/c1-2-12(21)19-8-3-6-11(18-7-8)20-10-5-4-9(15)13(16)14(10)17/h3-7H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyIVPKLFDDOXQNGQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.59
Rot. Bonds4

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

N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide (PubChem CID 113023032) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
PubChem CID113023032
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C14H12F3N3O/c1-2-12(21)19-8-3-6-11(18-7-8)20-10-5-4-9(15)13(16)14(10)17/h3-7H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyIVPKLFDDOXQNGQ-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.59
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]butanamide
CID 113023033
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
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
3-phenyl-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]propanamide
CID 113037437
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
N-(4-fluorophenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109292530
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide?
The IUPAC name of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide (CID 113023032) is N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide?
The InChIKey is IVPKLFDDOXQNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-2-12(21)19-8-3-6-11(18-7-8)20-10-5-4-9(15)13(16)14(10)17/h3-7H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide?
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide has a molecular weight of 295.26 g/mol, XLogP of 3.59, 4 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]propanamide is sourced from PubChem (CID 113023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).