4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide

C10H11F3N2O — CID 154583502

IUPAC4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCc1ccncc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)4-1-9(16)15-7-8-2-5-14-6-3-8/h2-3,5-6H,1,4,7H2,(H,15,16)
InChIKeyYXQGMRFVSPOBLY-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.04
Rot. Bonds4

About 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide

4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 154583502) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
PubChem CID154583502
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCc1ccncc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)4-1-9(16)15-7-8-2-5-14-6-3-8/h2-3,5-6H,1,4,7H2,(H,15,16)
InChIKeyYXQGMRFVSPOBLY-UHFFFAOYSA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
4,4,4-trifluoro-N-pyridin-4-ylbutanamide
CID 155981646
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide (CID 154583502) is 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide is O=C(CCC(F)(F)F)NCc1ccncc1.
What is the InChIKey of 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is YXQGMRFVSPOBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)4-1-9(16)15-7-8-2-5-14-6-3-8/h2-3,5-6H,1,4,7H2,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide?
4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 232.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 154583502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).