N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide

C25H20FN5O4 — CID 134132526

IUPACN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)ncn3)cc2F)ccn1
InChIInChI=1S/C25H20FN5O4/c1-27-24(32)21-12-18(9-10-28-21)35-23-8-5-16(11-19(23)26)31-25(33)22-13-20(29-14-30-22)15-3-6-17(34-2)7-4-15/h3-14H,1-2H3,(H,27,32)(H,31,33)
InChIKeyZAROHVFQOKEDDA-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.09
Rot. Bonds7

About N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide

N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 134132526) has the molecular formula C25H20FN5O4 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID134132526
Molecular FormulaC25H20FN5O4
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC NameN-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)ncn3)cc2F)ccn1
InChIInChI=1S/C25H20FN5O4/c1-27-24(32)21-12-18(9-10-28-21)35-23-8-5-16(11-19(23)26)31-25(33)22-13-20(29-14-30-22)15-3-6-17(34-2)7-4-15/h3-14H,1-2H3,(H,27,32)(H,31,33)
InChIKeyZAROHVFQOKEDDA-UHFFFAOYSA-N
XLogP4.09
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 134132526) is N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(OC)cc4)ncn3)cc2F)ccn1.
What is the InChIKey of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZAROHVFQOKEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O4/c1-27-24(32)21-12-18(9-10-28-21)35-23-8-5-16(11-19(23)26)31-25(33)22-13-20(29-14-30-22)15-3-6-17(34-2)7-4-15/h3-14H,1-2H3,(H,27,32)(H,31,33).
What are the key properties of N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide?
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134132526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).