N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide

C22H14F4N4O — CID 58487298

IUPACN-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C22H14F4N4O/c1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26/h2-11H,1H3,(H,27,28,31)
InChIKeyJEXKXLHFJANTBH-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.96
Rot. Bonds4

About N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide

N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 58487298) has the molecular formula C22H14F4N4O and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID58487298
Molecular FormulaC22H14F4N4O
Molecular Weight426.37 g/mol
Exact Mass426.11
IUPAC NameN-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESCn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C22H14F4N4O/c1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26/h2-11H,1H3,(H,27,28,31)
InChIKeyJEXKXLHFJANTBH-UHFFFAOYSA-N
XLogP4.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide (CID 58487298) is N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide is Cn1nc(-c2c(F)cccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is JEXKXLHFJANTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O/c1-30-18(10-17(29-30)20-13(23)4-2-5-14(20)24)12-8-9-19(27-11-12)28-22(31)21-15(25)6-3-7-16(21)26/h2-11H,1H3,(H,27,28,31).
What are the key properties of N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 426.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,6-difluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 58487298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).