N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide

C10H12F3N3O — CID 75519408

IUPACN-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1cccc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-16(2)8-5-3-4-7(14-8)15-9(17)6-10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15,17)
InChIKeyINEJWRIRFFZHTM-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.04
Rot. Bonds3

About N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide

N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide (PubChem CID 75519408) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide
PubChem CID75519408
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide
SMILESCN(C)c1cccc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-16(2)8-5-3-4-7(14-8)15-9(17)6-10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15,17)
InChIKeyINEJWRIRFFZHTM-UHFFFAOYSA-N
XLogP2.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
2-bromo-N-[3-[[6-(dimethylamino)-2-pyridinyl]amino]-3-oxopropyl]-5-fluorobenzamide
CID 75452923
6-hydrazinyl-N,N-dimethylpyridin-2-amine
CID 80932534
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
4-(dimethylamino)-N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]benzamide
CID 102532472
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
N-[(1R)-1-[6-(dimethylamino)-2-pyridinyl]ethyl]propanamide
CID 175743939
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
1-[6-(dimethylamino)-2-pyridinyl]-3-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 100642764
N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
CID 75456121
(3S)-N-[6-(dimethylamino)-2-pyridinyl]-3-ethylpiperidine-1-carboxamide
CID 97352928

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide (CID 75519408) is N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide is CN(C)c1cccc(NC(=O)CC(F)(F)F)n1.
What is the InChIKey of N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide?
The InChIKey is INEJWRIRFFZHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-16(2)8-5-3-4-7(14-8)15-9(17)6-10(11,12)13/h3-5H,6H2,1-2H3,(H,14,15,17).
What are the key properties of N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide?
N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide has a molecular weight of 247.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-2-pyridinyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 75519408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).