1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O4 — CID 51075128

IUPAC1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C13H16F3N3O4/c1-7(6-23-2)18-10(20)5-19-9(13(14,15)16)4-3-8(11(17)21)12(19)22/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyXRMOEELAZHISCS-UHFFFAOYSA-N
MW335.28 g/mol
LogP0.12
Rot. Bonds6

About 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 51075128) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID51075128
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
InChIInChI=1S/C13H16F3N3O4/c1-7(6-23-2)18-10(20)5-19-9(13(14,15)16)4-3-8(11(17)21)12(19)22/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyXRMOEELAZHISCS-UHFFFAOYSA-N
XLogP0.12
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 51075128) is 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COCC(C)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XRMOEELAZHISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-7(6-23-2)18-10(20)5-19-9(13(14,15)16)4-3-8(11(17)21)12(19)22/h3-4,7H,5-6H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 335.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 51075128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).