4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

C20H21F3N4O — CID 164617623

IUPAC4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)17-4-2-1-3-13(17)11-25-19-9-18(14(10-24)12-26-19)27-15-5-7-16(28)8-6-15/h1-4,9,12,15-16,28H,5-8,11H2,(H2,25,26,27)
InChIKeyGTSKDZAJCSLLJV-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.30
Rot. Bonds5

About 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 164617623) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID164617623
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)17-4-2-1-3-13(17)11-25-19-9-18(14(10-24)12-26-19)27-15-5-7-16(28)8-6-15/h1-4,9,12,15-16,28H,5-8,11H2,(H2,25,26,27)
InChIKeyGTSKDZAJCSLLJV-UHFFFAOYSA-N
XLogP4.30
TPSA80.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 164617623) is 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2ccccc2C(F)(F)F)cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is GTSKDZAJCSLLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)17-4-2-1-3-13(17)11-25-19-9-18(14(10-24)12-26-19)27-15-5-7-16(28)8-6-15/h1-4,9,12,15-16,28H,5-8,11H2,(H2,25,26,27).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 390.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164617623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).