2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H13F5N4O5 — CID 175968057

IUPAC2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1-c1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C16H13F5N4O5/c17-15(18)11(27)8(5-26)30-13(15)25-4-3-7(23-14(25)29)10-6(12(22)28)1-2-9(24-10)16(19,20)21/h1-4,8,11,13,26-27H,5H2,(H2,22,28)/t8-,11-,13-/m1/s1
InChIKeyPOBKNNDEMVSQMS-XTWCZFFVSA-N
MW436.29 g/mol
LogP0.31
Rot. Bonds4

About 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175968057) has the molecular formula C16H13F5N4O5 and a molecular weight of 436.29 g/mol. Its IUPAC name is 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175968057
Molecular FormulaC16H13F5N4O5
Molecular Weight436.29 g/mol
Exact Mass436.08
IUPAC Name2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1-c1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C16H13F5N4O5/c17-15(18)11(27)8(5-26)30-13(15)25-4-3-7(23-14(25)29)10-6(12(22)28)1-2-9(24-10)16(19,20)21/h1-4,8,11,13,26-27H,5H2,(H2,22,28)/t8-,11-,13-/m1/s1
InChIKeyPOBKNNDEMVSQMS-XTWCZFFVSA-N
XLogP0.31
TPSA140.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175968057) is 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1-c1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is POBKNNDEMVSQMS-XTWCZFFVSA-N. The full InChI is InChI=1S/C16H13F5N4O5/c17-15(18)11(27)8(5-26)30-13(15)25-4-3-7(23-14(25)29)10-6(12(22)28)1-2-9(24-10)16(19,20)21/h1-4,8,11,13,26-27H,5H2,(H2,22,28)/t8-,11-,13-/m1/s1.
What are the key properties of 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 436.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175968057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).