2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O2 — CID 71997012

IUPAC2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccn(CC(=O)N(CC(F)(F)F)C(C)C)c(=O)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(20)7-17-5-4-10(3)6-11(17)19/h4-6,9H,7-8H2,1-3H3
InChIKeyYRZLWMIISOODDN-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.96
Rot. Bonds4

About 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71997012) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71997012
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccn(CC(=O)N(CC(F)(F)F)C(C)C)c(=O)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(20)7-17-5-4-10(3)6-11(17)19/h4-6,9H,7-8H2,1-3H3
InChIKeyYRZLWMIISOODDN-UHFFFAOYSA-N
XLogP1.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 71997012) is 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccn(CC(=O)N(CC(F)(F)F)C(C)C)c(=O)c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YRZLWMIISOODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(20)7-17-5-4-10(3)6-11(17)19/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1-pyridinyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71997012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).