2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile

C15H20N4 — CID 65472964

IUPAC2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1C2CCCC1CC(Nc1cc(C#N)ccn1)C2
InChIInChI=1S/C15H20N4/c1-19-13-3-2-4-14(19)9-12(8-13)18-15-7-11(10-16)5-6-17-15/h5-7,12-14H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyNNFOFLPGPXWTEQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.38
Rot. Bonds2

About 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile (PubChem CID 65472964) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
PubChem CID65472964
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
SMILESCN1C2CCCC1CC(Nc1cc(C#N)ccn1)C2
InChIInChI=1S/C15H20N4/c1-19-13-3-2-4-14(19)9-12(8-13)18-15-7-11(10-16)5-6-17-15/h5-7,12-14H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyNNFOFLPGPXWTEQ-UHFFFAOYSA-N
XLogP2.38
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile (CID 65472964) is 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile is CN1C2CCCC1CC(Nc1cc(C#N)ccn1)C2.
What is the InChIKey of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile?
The InChIKey is NNFOFLPGPXWTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-13-3-2-4-14(19)9-12(8-13)18-15-7-11(10-16)5-6-17-15/h5-7,12-14H,2-4,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile?
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 65472964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).