2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide

C22H16F2N6O — CID 122315819

IUPAC2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N6O/c23-14-4-9-17(18(24)11-14)22(31)29-16-7-5-15(6-8-16)28-20-12-21(27-13-26-20)30-19-3-1-2-10-25-19/h1-13H,(H,29,31)(H2,25,26,27,28,30)
InChIKeyOKFWUOSSFVDLOT-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.89
Rot. Bonds6

About 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide

2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide (PubChem CID 122315819) has the molecular formula C22H16F2N6O and a molecular weight of 418.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
PubChem CID122315819
Molecular FormulaC22H16F2N6O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H16F2N6O/c23-14-4-9-17(18(24)11-14)22(31)29-16-7-5-15(6-8-16)28-20-12-21(27-13-26-20)30-19-3-1-2-10-25-19/h1-13H,(H,29,31)(H2,25,26,27,28,30)
InChIKeyOKFWUOSSFVDLOT-UHFFFAOYSA-N
XLogP4.89
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
2-(4-fluorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315816
1-(3,4-difluorophenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122315905
2,4-difluoro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 53257051
3-fluoro-4-methoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316013
2,4-difluoro-N-[4-(pyridin-2-ylmethylamino)phenyl]benzamide
CID 51107830
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
2,4-difluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122297586
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
3-fluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122316488

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide (CID 122315819) is 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide is O=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide?
The InChIKey is OKFWUOSSFVDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O/c23-14-4-9-17(18(24)11-14)22(31)29-16-7-5-15(6-8-16)28-20-12-21(27-13-26-20)30-19-3-1-2-10-25-19/h1-13H,(H,29,31)(H2,25,26,27,28,30).
What are the key properties of 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide?
2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide has a molecular weight of 418.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide is sourced from PubChem (CID 122315819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).