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

C24H17ClFN5O3 — CID 134152022

IUPAC6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2F)ccn1
InChIInChI=1S/C24H17ClFN5O3/c1-27-23(32)20-11-17(8-9-28-20)34-22-7-6-16(10-18(22)26)31-24(33)21-12-19(29-13-30-21)14-2-4-15(25)5-3-14/h2-13H,1H3,(H,27,32)(H,31,33)
InChIKeyAIMUEJXLBIDGID-UHFFFAOYSA-N
MW477.88 g/mol
LogP4.74
Rot. Bonds6

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

6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (PubChem CID 134152022) has the molecular formula C24H17ClFN5O3 and a molecular weight of 477.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
PubChem CID134152022
Molecular FormulaC24H17ClFN5O3
Molecular Weight477.88 g/mol
Exact Mass477.10
IUPAC Name6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2F)ccn1
InChIInChI=1S/C24H17ClFN5O3/c1-27-23(32)20-11-17(8-9-28-20)34-22-7-6-16(10-18(22)26)31-24(33)21-12-19(29-13-30-21)14-2-4-15(25)5-3-14/h2-13H,1H3,(H,27,32)(H,31,33)
InChIKeyAIMUEJXLBIDGID-UHFFFAOYSA-N
XLogP4.74
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.88
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide (CID 134152022) is 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ncn3)cc2F)ccn1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
The InChIKey is AIMUEJXLBIDGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5O3/c1-27-23(32)20-11-17(8-9-28-20)34-22-7-6-16(10-18(22)26)31-24(33)21-12-19(29-13-30-21)14-2-4-15(25)5-3-14/h2-13H,1H3,(H,27,32)(H,31,33).
What are the key properties of 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide?
6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide has a molecular weight of 477.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).