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

C19H20F3N5O — CID 164619078

IUPAC4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-5-6-24-9-13(16)11-26-18-7-17(12(8-23)10-25-18)27-14-1-3-15(28)4-2-14/h5-7,9-10,14-15,28H,1-4,11H2,(H2,25,26,27)
InChIKeyOGZCYMKYBPJTCU-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.69
Rot. Bonds5

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

4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (PubChem CID 164619078) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
PubChem CID164619078
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC1CCC(O)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-5-6-24-9-13(16)11-26-18-7-17(12(8-23)10-25-18)27-14-1-3-15(28)4-2-14/h5-7,9-10,14-15,28H,1-4,11H2,(H2,25,26,27)
InChIKeyOGZCYMKYBPJTCU-UHFFFAOYSA-N
XLogP3.69
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (CID 164619078) is 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCc2cnccc2C(F)(F)F)cc1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is OGZCYMKYBPJTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)16-5-6-24-9-13(16)11-26-18-7-17(12(8-23)10-25-18)27-14-1-3-15(28)4-2-14/h5-7,9-10,14-15,28H,1-4,11H2,(H2,25,26,27).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 391.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 164619078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).