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

C14H19N3O — CID 62301831

IUPAC2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESCC1CCCC(O)(CNc2ncccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-11-4-2-6-14(18,8-11)10-17-13-12(9-15)5-3-7-16-13/h3,5,7,11,18H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyCRZIKRANDIHEBD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.31
Rot. Bonds3

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

2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile (PubChem CID 62301831) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
PubChem CID62301831
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESCC1CCCC(O)(CNc2ncccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-11-4-2-6-14(18,8-11)10-17-13-12(9-15)5-3-7-16-13/h3,5,7,11,18H,2,4,6,8,10H2,1H3,(H,16,17)
InChIKeyCRZIKRANDIHEBD-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 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile (CID 62301831) is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile is CC1CCCC(O)(CNc2ncccc2C#N)C1.
What is the InChIKey of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CRZIKRANDIHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-4-2-6-14(18,8-11)10-17-13-12(9-15)5-3-7-16-13/h3,5,7,11,18H,2,4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-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 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62301831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).