4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

C23H24FN5O — CID 27478347

IUPAC4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN5O/c1-16-15-21(29-13-3-2-4-14-29)28-23(25-16)27-20-11-9-19(10-12-20)26-22(30)17-5-7-18(24)8-6-17/h5-12,15H,2-4,13-14H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyVFZNJPUZNBHHEM-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.91
Rot. Bonds5

About 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 27478347) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID27478347
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H24FN5O/c1-16-15-21(29-13-3-2-4-14-29)28-23(25-16)27-20-11-9-19(10-12-20)26-22(30)17-5-7-18(24)8-6-17/h5-12,15H,2-4,13-14H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyVFZNJPUZNBHHEM-UHFFFAOYSA-N
XLogP4.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-methylsulfanylbenzamide
CID 122287881
4-(dimethylamino)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287578
2-chloro-4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032340
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
3,4-dimethoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478293
3-iodo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478435
6-methoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
CID 122287660
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-pentoxybenzamide
CID 122287620
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
3-cyano-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287581

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 27478347) is 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is VFZNJPUZNBHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-15-21(29-13-3-2-4-14-29)28-23(25-16)27-20-11-9-19(10-12-20)26-22(30)17-5-7-18(24)8-6-17/h5-12,15H,2-4,13-14H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 27478347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).