N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide

C26H28F3N5O3 — CID 53362560

IUPACN-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)ncn2)c1C
InChIInChI=1S/C26H28F3N5O3/c1-17-22(32-18(2)35)4-3-5-23(17)33-24-14-25(31-16-30-24)34-12-10-20(11-13-34)36-15-19-6-8-21(9-7-19)37-26(27,28)29/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,32,35)(H,30,31,33)
InChIKeyNNZMWYODRJBRFI-UHFFFAOYSA-N
MW515.54 g/mol
LogP5.57
Rot. Bonds8

About N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide

N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 53362560) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID53362560
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC NameN-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)ncn2)c1C
InChIInChI=1S/C26H28F3N5O3/c1-17-22(32-18(2)35)4-3-5-23(17)33-24-14-25(31-16-30-24)34-12-10-20(11-13-34)36-15-19-6-8-21(9-7-19)37-26(27,28)29/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,32,35)(H,30,31,33)
InChIKeyNNZMWYODRJBRFI-UHFFFAOYSA-N
XLogP5.57
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-3-(4-(4-(4-(trifluoromethoxy)benzyloxy)piperidin-1-yl)-1,3,5-triazin-2-ylamino)phenyl)acetamide
CID 53361524
N-(6-{4-[3-(3-Trifluoromethyl-phenyl)-ureido]-phenoxy}-pyrimidin-4-yl)-acetamide
CID 11201276
CID 16739919
CID 16739919
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxy-2-methylphenyl)-N4-methylpyrimidine-2,4-diamine
CID 25015107
N-[2-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362558
N-[2-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362559
4-N-(3-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 54764412
4-N-(4-fluoro-2-methylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57395995
2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 57399459
N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)phenyl)acrylamide
CID 71474167
4-[6-(3-methoxyanilino)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 145953067
N-[3-[[2-[4-[3-(4-ethylpiperazin-1-yl)propoxy]-2-methylanilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145985661

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide (CID 53362560) is N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)ncn2)c1C.
What is the InChIKey of N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is NNZMWYODRJBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c1-17-22(32-18(2)35)4-3-5-23(17)33-24-14-25(31-16-30-24)34-12-10-20(11-13-34)36-15-19-6-8-21(9-7-19)37-26(27,28)29/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,32,35)(H,30,31,33).
What are the key properties of N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 515.54 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[6-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 53362560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).