N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid

C14H13F3N2O3S — CID 154889376

IUPACN-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESO=C(CCc1ccsc1)Nc1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N2OS.C2HF3O2/c15-12(4-3-10-5-7-16-9-10)14-11-2-1-6-13-8-11;3-2(4,5)1(6)7/h1-2,5-9H,3-4H2,(H,14,15);(H,6,7)
InChIKeyUVOJNWHCQFHSPF-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.35
Rot. Bonds4

About N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid

N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 154889376) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID154889376
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC NameN-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESO=C(CCc1ccsc1)Nc1cccnc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N2OS.C2HF3O2/c15-12(4-3-10-5-7-16-9-10)14-11-2-1-6-13-8-11;3-2(4,5)1(6)7/h1-2,5-9H,3-4H2,(H,14,15);(H,6,7)
InChIKeyUVOJNWHCQFHSPF-UHFFFAOYSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 27165067
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CID 29330989
N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide
CID 95278278
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
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2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid (CID 154889376) is N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid is O=C(CCc1ccsc1)Nc1cccnc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is UVOJNWHCQFHSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS.C2HF3O2/c15-12(4-3-10-5-7-16-9-10)14-11-2-1-6-13-8-11;3-2(4,5)1(6)7/h1-2,5-9H,3-4H2,(H,14,15);(H,6,7).
What are the key properties of N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid?
N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 346.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154889376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).