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

C23H24FN5O — CID 46267964

IUPAC2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H24FN5O/c1-16-25-21(15-22(26-16)29-13-5-2-6-14-29)27-17-9-11-18(12-10-17)28-23(30)19-7-3-4-8-20(19)24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyRKEDOCUVCWRBJI-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.91
Rot. Bonds5

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

2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 46267964) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID46267964
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C23H24FN5O/c1-16-25-21(15-22(26-16)29-13-5-2-6-14-29)27-17-9-11-18(12-10-17)28-23(30)19-7-3-4-8-20(19)24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,28,30)(H,25,26,27)
InChIKeyRKEDOCUVCWRBJI-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-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-nitrobenzamide
CID 46267969
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748451
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 46267979
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylsulfanylbenzamide
CID 122297128
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide
CID 50748406
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46267978
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide
CID 46267970

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 46267964) is 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(N2CCCCC2)n1.
What is the InChIKey of 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is RKEDOCUVCWRBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-25-21(15-22(26-16)29-13-5-2-6-14-29)27-17-9-11-18(12-10-17)28-23(30)19-7-3-4-8-20(19)24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,28,30)(H,25,26,27).
What are the key properties of 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-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 2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 46267964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).