5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

C14H19N3O — CID 79838660

IUPAC5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCC(O)(CNc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H19N3O/c1-11-3-2-6-14(18,7-11)10-17-13-5-4-12(8-15)16-9-13/h4-5,9,11,17-18H,2-3,6-7,10H2,1H3
InChIKeyFOLFYEIVUMFAHB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds3

About 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile

5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 79838660) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID79838660
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCC(O)(CNc2ccc(C#N)nc2)C1
InChIInChI=1S/C14H19N3O/c1-11-3-2-6-14(18,7-11)10-17-13-5-4-12(8-15)16-9-13/h4-5,9,11,17-18H,2-3,6-7,10H2,1H3
InChIKeyFOLFYEIVUMFAHB-UHFFFAOYSA-N
XLogP2.31
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile (CID 79838660) is 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is CC1CCCC(O)(CNc2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is FOLFYEIVUMFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-3-2-6-14(18,7-11)10-17-13-5-4-12(8-15)16-9-13/h4-5,9,11,17-18H,2-3,6-7,10H2,1H3.
What are the key properties of 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile?
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79838660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).