N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C13H17F3N2O2 — CID 91535757

IUPACN-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(C(F)(F)F)nc1OC(C)C
InChIInChI=1S/C13H17F3N2O2/c1-4-11(19)17-7-9-5-6-10(13(14,15)16)18-12(9)20-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,17,19)
InChIKeyNKTUKSWYJJOPKJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.91
Rot. Bonds5

About N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 91535757) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID91535757
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(C(F)(F)F)nc1OC(C)C
InChIInChI=1S/C13H17F3N2O2/c1-4-11(19)17-7-9-5-6-10(13(14,15)16)18-12(9)20-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,17,19)
InChIKeyNKTUKSWYJJOPKJ-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 91535757) is N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CCC(=O)NCc1ccc(C(F)(F)F)nc1OC(C)C.
What is the InChIKey of N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is NKTUKSWYJJOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-4-11(19)17-7-9-5-6-10(13(14,15)16)18-12(9)20-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,17,19).
What are the key properties of N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-propan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 91535757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).