methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

C57H70F6N10O2 — CID 158528230

IUPACmethane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F
InChIInChI=1S/C28H32F3N5O.C27H30F3N5O.2CH4/c1-18(27(32)37)22-6-4-3-5-20(22)8-10-25-23(28(29,30)31)17-34-26(35-25)15-19-7-9-24(33-16-19)21-11-13-36(2)14-12-21;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;;/h3-7,9,16-18,21H,8,10-15H2,1-2H3,(H2,32,37);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);2*1H4
InChIKeyHNAWNJQUNUXICX-UHFFFAOYSA-N
MW1041.24 g/mol
LogP10.26
Rot. Bonds16

About methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide

methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 158528230) has the molecular formula C57H70F6N10O2 and a molecular weight of 1041.24 g/mol. Its IUPAC name is methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Namemethane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID158528230
Molecular FormulaC57H70F6N10O2
Molecular Weight1041.24 g/mol
Exact Mass1040.56
IUPAC Namemethane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESC.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F
InChIInChI=1S/C28H32F3N5O.C27H30F3N5O.2CH4/c1-18(27(32)37)22-6-4-3-5-20(22)8-10-25-23(28(29,30)31)17-34-26(35-25)15-19-7-9-24(33-16-19)21-11-13-36(2)14-12-21;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;;/h3-7,9,16-18,21H,8,10-15H2,1-2H3,(H2,32,37);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);2*1H4
InChIKeyHNAWNJQUNUXICX-UHFFFAOYSA-N
XLogP10.26
TPSA178.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.24
LogP ≤ 510.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 158528230) is methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is C.C.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCN(C)CC3)nc2)ncc1C(F)(F)F.CC(C(N)=O)c1ccccc1CCc1nc(Cc2ccc(C3CCNCC3)nc2)ncc1C(F)(F)F.
What is the InChIKey of methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is HNAWNJQUNUXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O.C27H30F3N5O.2CH4/c1-18(27(32)37)22-6-4-3-5-20(22)8-10-25-23(28(29,30)31)17-34-26(35-25)15-19-7-9-24(33-16-19)21-11-13-36(2)14-12-21;1-17(26(31)36)21-5-3-2-4-19(21)7-9-24-22(27(28,29)30)16-34-25(35-24)14-18-6-8-23(33-15-18)20-10-12-32-13-11-20;;/h3-7,9,16-18,21H,8,10-15H2,1-2H3,(H2,32,37);2-6,8,15-17,20,32H,7,9-14H2,1H3,(H2,31,36);2*1H4.
What are the key properties of methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide?
methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 1041.24 g/mol, XLogP of 10.26, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[2-[2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide;2-[2-[2-[2-[(6-piperidin-4-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 158528230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).