5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile

C12H15N3O — CID 79839194

IUPAC5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)cn1
InChIInChI=1S/C12H15N3O/c13-7-10-1-2-11(8-14-10)15-9-3-5-12(16)6-4-9/h1-2,8-9,12,15-16H,3-6H2
InChIKeyOXWJEKLKLBVWSA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds2

About 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile

5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile (PubChem CID 79839194) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile
PubChem CID79839194
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)cn1
InChIInChI=1S/C12H15N3O/c13-7-10-1-2-11(8-14-10)15-9-3-5-12(16)6-4-9/h1-2,8-9,12,15-16H,3-6H2
InChIKeyOXWJEKLKLBVWSA-UHFFFAOYSA-N
XLogP1.67
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile (CID 79839194) is 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile is N#Cc1ccc(NC2CCC(O)CC2)cn1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile?
The InChIKey is OXWJEKLKLBVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-10-1-2-11(8-14-10)15-9-3-5-12(16)6-4-9/h1-2,8-9,12,15-16H,3-6H2.
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile?
5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).