N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide

C17H13FN4O6 — CID 123947462

IUPACN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(OC(O)(O)O)ccn1
InChIInChI=1S/C17H13FN4O6/c18-10-3-11(5-13(4-10)27-14-7-19-9-20-8-14)22-16(23)15-6-12(1-2-21-15)28-17(24,25)26/h1-9,24-26H,(H,22,23)
InChIKeyCNTCZKXHSYZJSJ-UHFFFAOYSA-N
MW388.31 g/mol
LogP1.02
Rot. Bonds6

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide (PubChem CID 123947462) has the molecular formula C17H13FN4O6 and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide
PubChem CID123947462
Molecular FormulaC17H13FN4O6
Molecular Weight388.31 g/mol
Exact Mass388.08
IUPAC NameN-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(OC(O)(O)O)ccn1
InChIInChI=1S/C17H13FN4O6/c18-10-3-11(5-13(4-10)27-14-7-19-9-20-8-14)22-16(23)15-6-12(1-2-21-15)28-17(24,25)26/h1-9,24-26H,(H,22,23)
InChIKeyCNTCZKXHSYZJSJ-UHFFFAOYSA-N
XLogP1.02
TPSA146.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 58337687
N-(3-fluorophenyl)-4-pyridin-3-yloxypyridine-2-carboxamide
CID 51038609
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 58337549
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
N-(3,4-dimethyl-5-pyrimidin-5-yloxyphenyl)-5-fluoropyridine-2-carboxamide
CID 123137706
4-amino-N-(3,5-difluorophenyl)pyridine-2-carboxamide
CID 55041778
3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-methyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 159213971
4-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743676
2-[5-[3-[(3-fluorobenzoyl)amino]-5-(methylamino)phenoxy]pyrimidin-1-ium-1-yl]-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-5-(trifluoromethoxy)benzamide
CID 123843045
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-methylpyridine-2-carboxamide;4-ethoxy-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 159281341
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
6-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 58349107

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide (CID 123947462) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(OC(O)(O)O)ccn1.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide?
The InChIKey is CNTCZKXHSYZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O6/c18-10-3-11(5-13(4-10)27-14-7-19-9-20-8-14)22-16(23)15-6-12(1-2-21-15)28-17(24,25)26/h1-9,24-26H,(H,22,23).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide?
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-(trihydroxymethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 123947462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).