N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide

C26H26F5N5O2 — CID 118378342

IUPACN-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1ncc(C(C)(O)Cc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C26H26F5N5O2/c1-15-32-14-18(25(2,38)13-17-5-3-8-21(34-17)26(29,30)31)22(33-15)16-9-11-36(12-10-16)24(37)35-23-19(27)6-4-7-20(23)28/h3-8,14,16,38H,9-13H2,1-2H3,(H,35,37)
InChIKeySDWACDOWWJZOSB-UHFFFAOYSA-N
MW535.52 g/mol
LogP5.34
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide

N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide (PubChem CID 118378342) has the molecular formula C26H26F5N5O2 and a molecular weight of 535.52 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
PubChem CID118378342
Molecular FormulaC26H26F5N5O2
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC NameN-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
SMILESCc1ncc(C(C)(O)Cc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C26H26F5N5O2/c1-15-32-14-18(25(2,38)13-17-5-3-8-21(34-17)26(29,30)31)22(33-15)16-9-11-36(12-10-16)24(37)35-23-19(27)6-4-7-20(23)28/h3-8,14,16,38H,9-13H2,1-2H3,(H,35,37)
InChIKeySDWACDOWWJZOSB-UHFFFAOYSA-N
XLogP5.34
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide (CID 118378342) is N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide is Cc1ncc(C(C)(O)Cc2cccc(C(F)(F)F)n2)c(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide?
The InChIKey is SDWACDOWWJZOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F5N5O2/c1-15-32-14-18(25(2,38)13-17-5-3-8-21(34-17)26(29,30)31)22(33-15)16-9-11-36(12-10-16)24(37)35-23-19(27)6-4-7-20(23)28/h3-8,14,16,38H,9-13H2,1-2H3,(H,35,37).
What are the key properties of N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide?
N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide has a molecular weight of 535.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[5-[2-hydroxy-1-[6-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118378342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).