2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C17H15F3N4O — CID 133416727

IUPAC2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)n1
InChIInChI=1S/C17H15F3N4O/c1-2-8-24(14-5-3-4-11(9-21)22-14)10-15(25)23-13-7-6-12(18)16(19)17(13)20/h3-7H,2,8,10H2,1H3,(H,23,25)
InChIKeyZTTZVHYEJLEQCT-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.23
Rot. Bonds6

About 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 133416727) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID133416727
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)n1
InChIInChI=1S/C17H15F3N4O/c1-2-8-24(14-5-3-4-11(9-21)22-14)10-15(25)23-13-7-6-12(18)16(19)17(13)20/h3-7H,2,8,10H2,1H3,(H,23,25)
InChIKeyZTTZVHYEJLEQCT-UHFFFAOYSA-N
XLogP3.23
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 133416634
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104198
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 133416727) is 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(C#N)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ZTTZVHYEJLEQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-2-8-24(14-5-3-4-11(9-21)22-14)10-15(25)23-13-7-6-12(18)16(19)17(13)20/h3-7H,2,8,10H2,1H3,(H,23,25).
What are the key properties of 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 348.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 133416727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).