N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H16F3N3O3 — CID 7633538

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-3-8(2)17-12(22)18-10(20)7-19-6-9(13(14,15)16)4-5-11(19)21/h4-6,8H,3,7H2,1-2H3,(H2,17,18,20,22)/t8-/m0/s1
InChIKeyFPOIDILDXXZPSS-QMMMGPOBSA-N
MW319.28 g/mol
LogP1.49
Rot. Bonds4

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633538) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633538
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O3/c1-3-8(2)17-12(22)18-10(20)7-19-6-9(13(14,15)16)4-5-11(19)21/h4-6,8H,3,7H2,1-2H3,(H2,17,18,20,22)/t8-/m0/s1
InChIKeyFPOIDILDXXZPSS-QMMMGPOBSA-N
XLogP1.49
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633538) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC[C@H](C)NC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FPOIDILDXXZPSS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-3-8(2)17-12(22)18-10(20)7-19-6-9(13(14,15)16)4-5-11(19)21/h4-6,8H,3,7H2,1-2H3,(H2,17,18,20,22)/t8-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).