N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H10F3N3O4 — CID 106164652

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)6-2-1-4(9(20)16-6)8(19)15-3-5(17)7(14)18/h1-2,5,17H,3H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyCBMSVLDJCFKCIL-UHFFFAOYSA-N
MW293.20 g/mol
LogP-1.03
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 106164652) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID106164652
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)6-2-1-4(9(20)16-6)8(19)15-3-5(17)7(14)18/h1-2,5,17H,3H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyCBMSVLDJCFKCIL-UHFFFAOYSA-N
XLogP-1.03
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 106164652) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CBMSVLDJCFKCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c11-10(12,13)6-2-1-4(9(20)16-6)8(19)15-3-5(17)7(14)18/h1-2,5,17H,3H2,(H2,14,18)(H,15,19)(H,16,20).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 293.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106164652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).