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

C20H24F3N5O — CID 56922333

IUPACN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H24F3N5O/c1-14-13-17(28-11-3-2-4-12-28)27-19(26-14)25-10-9-24-18(29)15-5-7-16(8-6-15)20(21,22)23/h5-8,13H,2-4,9-12H2,1H3,(H,24,29)(H,25,26,27)
InChIKeyGKZONTHZNHMYAO-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.64
Rot. Bonds6

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

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 56922333) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID56922333
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC NameN-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H24F3N5O/c1-14-13-17(28-11-3-2-4-12-28)27-19(26-14)25-10-9-24-18(29)15-5-7-16(8-6-15)20(21,22)23/h5-8,13H,2-4,9-12H2,1H3,(H,24,29)(H,25,26,27)
InChIKeyGKZONTHZNHMYAO-UHFFFAOYSA-N
XLogP3.64
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122294987
4-acetyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295005
3,4-difluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122294334
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 122326277
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-nitrobenzamide
CID 121075047
3-fluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075153
5-fluoro-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 122294498
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122294344
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294939
2,4-difluoro-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075195
2-ethyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]butanamide
CID 121075133
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 56922333) is N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GKZONTHZNHMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-14-13-17(28-11-3-2-4-12-28)27-19(26-14)25-10-9-24-18(29)15-5-7-16(8-6-15)20(21,22)23/h5-8,13H,2-4,9-12H2,1H3,(H,24,29)(H,25,26,27).
What are the key properties of N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 407.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 56922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).