1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C17H14F6N4O4 — CID 39025326

IUPAC1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(CCCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1=O
InChIInChI=1S/C17H14F6N4O4/c18-16(19,20)10-4-2-8(12(24)28)14(30)26(10)6-1-7-27-11(17(21,22)23)5-3-9(13(25)29)15(27)31/h2-5H,1,6-7H2,(H2,24,28)(H2,25,29)
InChIKeyYVDLMAHUMUTORS-UHFFFAOYSA-N
MW452.31 g/mol
LogP1.34
Rot. Bonds6

About 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 39025326) has the molecular formula C17H14F6N4O4 and a molecular weight of 452.31 g/mol. Its IUPAC name is 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID39025326
Molecular FormulaC17H14F6N4O4
Molecular Weight452.31 g/mol
Exact Mass452.09
IUPAC Name1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)n(CCCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1=O
InChIInChI=1S/C17H14F6N4O4/c18-16(19,20)10-4-2-8(12(24)28)14(30)26(10)6-1-7-27-11(17(21,22)23)5-3-9(13(25)29)15(27)31/h2-5H,1,6-7H2,(H2,24,28)(H2,25,29)
InChIKeyYVDLMAHUMUTORS-UHFFFAOYSA-N
XLogP1.34
TPSA130.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 39025326) is 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)n(CCCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1=O.
What is the InChIKey of 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YVDLMAHUMUTORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4O4/c18-16(19,20)10-4-2-8(12(24)28)14(30)26(10)6-1-7-27-11(17(21,22)23)5-3-9(13(25)29)15(27)31/h2-5H,1,6-7H2,(H2,24,28)(H2,25,29).
What are the key properties of 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 452.31 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-carbamoyl-2-oxo-6-(trifluoromethyl)-1-pyridinyl]propyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 39025326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).