6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile

C14H19N3O — CID 138014999

IUPAC6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCCC[C@H]2CCO)nc1
InChIInChI=1S/C14H19N3O/c15-9-11-5-6-14(16-10-11)17-13-4-2-1-3-12(13)7-8-18/h5-6,10,12-13,18H,1-4,7-8H2,(H,16,17)/t12-,13-/m0/s1
InChIKeyUZWISXYQFYBKER-STQMWFEESA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds4

About 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile

6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 138014999) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID138014999
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@H]2CCCC[C@H]2CCO)nc1
InChIInChI=1S/C14H19N3O/c15-9-11-5-6-14(16-10-11)17-13-4-2-1-3-12(13)7-8-18/h5-6,10,12-13,18H,1-4,7-8H2,(H,16,17)/t12-,13-/m0/s1
InChIKeyUZWISXYQFYBKER-STQMWFEESA-N
XLogP2.31
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile (CID 138014999) is 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@H]2CCCC[C@H]2CCO)nc1.
What is the InChIKey of 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is UZWISXYQFYBKER-STQMWFEESA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-11-5-6-14(16-10-11)17-13-4-2-1-3-12(13)7-8-18/h5-6,10,12-13,18H,1-4,7-8H2,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile?
6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(2-hydroxyethyl)cyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 138014999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).