2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile

C23H24F6N4O — CID 23574765

IUPAC2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCC(OCC1(C)CCC(Nc2ncccc2C#N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N4O/c1-14(16-8-17(22(24,25)26)10-18(9-16)23(27,28)29)34-13-21(2)6-5-19(12-32-21)33-20-15(11-30)4-3-7-31-20/h3-4,7-10,14,19,32H,5-6,12-13H2,1-2H3,(H,31,33)
InChIKeyJJNFMAYGIRXQEV-UHFFFAOYSA-N
MW486.46 g/mol
LogP5.69
Rot. Bonds6

About 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile

2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 23574765) has the molecular formula C23H24F6N4O and a molecular weight of 486.46 g/mol. Its IUPAC name is 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID23574765
Molecular FormulaC23H24F6N4O
Molecular Weight486.46 g/mol
Exact Mass486.19
IUPAC Name2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCC(OCC1(C)CCC(Nc2ncccc2C#N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H24F6N4O/c1-14(16-8-17(22(24,25)26)10-18(9-16)23(27,28)29)34-13-21(2)6-5-19(12-32-21)33-20-15(11-30)4-3-7-31-20/h3-4,7-10,14,19,32H,5-6,12-13H2,1-2H3,(H,31,33)
InChIKeyJJNFMAYGIRXQEV-UHFFFAOYSA-N
XLogP5.69
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.46
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine
CID 52945787
N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]-2-chloroacetamide
CID 23574934
N-[(6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 88969535
N-[(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]cyclopropanecarboxamide
CID 58633833
1-[(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-methylpiperidin-3-yl]-3-(chloromethyl)urea
CID 59088548
N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 58238894
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3,6-dimethylpiperidin-3-ol
CID 23574831
N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 23574943
3-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-1,1-dimethylurea
CID 88947957
N-[(3S,6S)-6-[[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4,5-dihydro-1,3-oxazol-2-amine
CID 58633863
(6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3,6-dimethyl-2,5-dihydro-1H-pyridine;hydrochloride
CID 159543371

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile (CID 23574765) is 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile is CC(OCC1(C)CCC(Nc2ncccc2C#N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is JJNFMAYGIRXQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N4O/c1-14(16-8-17(22(24,25)26)10-18(9-16)23(27,28)29)34-13-21(2)6-5-19(12-32-21)33-20-15(11-30)4-3-7-31-20/h3-4,7-10,14,19,32H,5-6,12-13H2,1-2H3,(H,31,33).
What are the key properties of 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile?
2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 486.46 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-methylpiperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 23574765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).