N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H13F3N2O3 — CID 31884754

IUPACN-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-10(22)11-4-2-5-12(8-11)21-14(23)13-6-3-7-20-15(13)24-9-16(17,18)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyYDQJEGONYAMBNS-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.48
Rot. Bonds5

About N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31884754) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31884754
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c1-10(22)11-4-2-5-12(8-11)21-14(23)13-6-3-7-20-15(13)24-9-16(17,18)19/h2-8H,9H2,1H3,(H,21,23)
InChIKeyYDQJEGONYAMBNS-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
N-(3-acetylphenyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574743
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 39821310

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31884754) is N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cccnc2OCC(F)(F)F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is YDQJEGONYAMBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-10(22)11-4-2-5-12(8-11)21-14(23)13-6-3-7-20-15(13)24-9-16(17,18)19/h2-8H,9H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31884754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).