N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H17F3N2O3 — CID 86925001

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(C)C
InChIInChI=1S/C14H17F3N2O3/c1-8(2)13(9(3)20)18-11(21)7-19-6-10(14(15,16)17)4-5-12(19)22/h4-6,8,13H,7H2,1-3H3,(H,18,21)
InChIKeyDNINBSHQTYOTNE-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.60
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86925001) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86925001
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(C)C
InChIInChI=1S/C14H17F3N2O3/c1-8(2)13(9(3)20)18-11(21)7-19-6-10(14(15,16)17)4-5-12(19)22/h4-6,8,13H,7H2,1-3H3,(H,18,21)
InChIKeyDNINBSHQTYOTNE-UHFFFAOYSA-N
XLogP1.60
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86925001) is N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(=O)C(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is DNINBSHQTYOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8(2)13(9(3)20)18-11(21)7-19-6-10(14(15,16)17)4-5-12(19)22/h4-6,8,13H,7H2,1-3H3,(H,18,21).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86925001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).