4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

C22H27F3N6 — CID 164612923

IUPAC4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESCC1(C)CC(Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)N1
InChIInChI=1S/C22H27F3N6/c1-20(2)8-16(9-21(3,4)31-20)30-18-7-19(28-12-14(18)10-26)29-13-15-11-27-6-5-17(15)22(23,24)25/h5-7,11-12,16,31H,8-9,13H2,1-4H3,(H2,28,29,30)
InChIKeyBMCTZYMJRIXUQC-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.70
Rot. Bonds5

About 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (PubChem CID 164612923) has the molecular formula C22H27F3N6 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
PubChem CID164612923
Molecular FormulaC22H27F3N6
Molecular Weight432.49 g/mol
Exact Mass432.22
IUPAC Name4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESCC1(C)CC(Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)N1
InChIInChI=1S/C22H27F3N6/c1-20(2)8-16(9-21(3,4)31-20)30-18-7-19(28-12-14(18)10-26)29-13-15-11-27-6-5-17(15)22(23,24)25/h5-7,11-12,16,31H,8-9,13H2,1-4H3,(H2,28,29,30)
InChIKeyBMCTZYMJRIXUQC-UHFFFAOYSA-N
XLogP4.70
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (CID 164612923) is 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is CC1(C)CC(Nc2cc(NCc3cnccc3C(F)(F)F)ncc2C#N)CC(C)(C)N1.
What is the InChIKey of 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is BMCTZYMJRIXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6/c1-20(2)8-16(9-21(3,4)31-20)30-18-7-19(28-12-14(18)10-26)29-13-15-11-27-6-5-17(15)22(23,24)25/h5-7,11-12,16,31H,8-9,13H2,1-4H3,(H2,28,29,30).
What are the key properties of 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 432.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164612923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).