3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

C12H15F3N2O — CID 51088400

IUPAC3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9(2)17(11(18)7-12(13,14)15)8-10-5-3-4-6-16-10/h3-6,9H,7-8H2,1-2H3
InChIKeyOMCGGJQOLONRQU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.77
Rot. Bonds4

About 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide

3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 51088400) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID51088400
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-9(2)17(11(18)7-12(13,14)15)8-10-5-3-4-6-16-10/h3-6,9H,7-8H2,1-2H3
InChIKeyOMCGGJQOLONRQU-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide (CID 51088400) is 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is CC(C)N(Cc1ccccn1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is OMCGGJQOLONRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-9(2)17(11(18)7-12(13,14)15)8-10-5-3-4-6-16-10/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide?
3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 260.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 51088400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).