4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

C19H20F3N5O — CID 164610686

IUPAC4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NCC1CCOCC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-1-4-24-10-15(16)12-27-18-7-17(14(8-23)11-26-18)25-9-13-2-5-28-6-3-13/h1,4,7,10-11,13H,2-3,5-6,9,12H2,(H2,25,26,27)
InChIKeyJGZNUEJWLMPAAC-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.82
Rot. Bonds6

About 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (PubChem CID 164610686) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
PubChem CID164610686
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NCC1CCOCC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-1-4-24-10-15(16)12-27-18-7-17(14(8-23)11-26-18)25-9-13-2-5-28-6-3-13/h1,4,7,10-11,13H,2-3,5-6,9,12H2,(H2,25,26,27)
InChIKeyJGZNUEJWLMPAAC-UHFFFAOYSA-N
XLogP3.82
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (CID 164610686) is 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NCC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is JGZNUEJWLMPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)16-1-4-24-10-15(16)12-27-18-7-17(14(8-23)11-26-18)25-9-13-2-5-28-6-3-13/h1,4,7,10-11,13H,2-3,5-6,9,12H2,(H2,25,26,27).
What are the key properties of 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 391.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164610686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).