3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide

C10H12F3N3O — CID 114270159

IUPAC3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
SMILESCC(CC(N)=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6(4-9(14)17)16-7-2-3-15-8(5-7)10(11,12)13/h2-3,5-6H,4H2,1H3,(H2,14,17)(H,15,16)
InChIKeyMNSPYRUQSUZOMM-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.78
Rot. Bonds4

About 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide

3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide (PubChem CID 114270159) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
PubChem CID114270159
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
SMILESCC(CC(N)=O)Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O/c1-6(4-9(14)17)16-7-2-3-15-8(5-7)10(11,12)13/h2-3,5-6H,4H2,1H3,(H2,14,17)(H,15,16)
InChIKeyMNSPYRUQSUZOMM-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 122049884
N-methyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanamide
CID 114270139
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
3-[3-cyano-4-(trifluoromethyl)anilino]butanamide
CID 104843918
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
3-cyclopropyl-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]propanoic acid
CID 112735039
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928
3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
CID 144912549
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide?
The IUPAC name of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide (CID 114270159) is 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide?
The canonical SMILES for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide is CC(CC(N)=O)Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide?
The InChIKey is MNSPYRUQSUZOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6(4-9(14)17)16-7-2-3-15-8(5-7)10(11,12)13/h2-3,5-6H,4H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide?
3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide has a molecular weight of 247.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide is sourced from PubChem (CID 114270159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).