3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C17H14F3N3O — CID 84554029

IUPAC3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-5-6-15(21-11-13)22-16(24)8-10-23-9-7-12-3-1-2-4-14(12)23/h1-7,9,11H,8,10H2,(H,21,22,24)
InChIKeyXCNHLQYVYRFHBG-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.08
Rot. Bonds4

About 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 84554029) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID84554029
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESO=C(CCn1ccc2ccccc21)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-5-6-15(21-11-13)22-16(24)8-10-23-9-7-12-3-1-2-4-14(12)23/h1-7,9,11H,8,10H2,(H,21,22,24)
InChIKeyXCNHLQYVYRFHBG-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-indol-1-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]propan-2-ol
CID 2795976
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
N-(2,3-dichlorophenyl)-3-indol-1-ylpropanamide
CID 84554858
3-indol-1-yl-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]propanamide
CID 51101885
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
2-(3-indol-1-ylpropanoylamino)-2-methylbutanoic acid
CID 119199226
N-(5-bromonaphthalen-2-yl)-3-indol-1-ylpropanamide
CID 146022047

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 84554029) is 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is O=C(CCn1ccc2ccccc21)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is XCNHLQYVYRFHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)13-5-6-15(21-11-13)22-16(24)8-10-23-9-7-12-3-1-2-4-14(12)23/h1-7,9,11H,8,10H2,(H,21,22,24).
What are the key properties of 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 333.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 84554029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).