3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile

C14H19N5 — CID 82812744

IUPAC3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
SMILESCN1C2CCC1CN(c1nccc(C#N)c1N)CC2
InChIInChI=1S/C14H19N5/c1-18-11-2-3-12(18)9-19(7-5-11)14-13(16)10(8-15)4-6-17-14/h4,6,11-12H,2-3,5,7,9,16H2,1H3
InChIKeyXYMDQCVIPVHOFT-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.21
Rot. Bonds1

About 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile

3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile (PubChem CID 82812744) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
PubChem CID82812744
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
SMILESCN1C2CCC1CN(c1nccc(C#N)c1N)CC2
InChIInChI=1S/C14H19N5/c1-18-11-2-3-12(18)9-19(7-5-11)14-13(16)10(8-15)4-6-17-14/h4,6,11-12H,2-3,5,7,9,16H2,1H3
InChIKeyXYMDQCVIPVHOFT-UHFFFAOYSA-N
XLogP1.21
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile (CID 82812744) is 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile is CN1C2CCC1CN(c1nccc(C#N)c1N)CC2.
What is the InChIKey of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
The InChIKey is XYMDQCVIPVHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-11-2-3-12(18)9-19(7-5-11)14-13(16)10(8-15)4-6-17-14/h4,6,11-12H,2-3,5,7,9,16H2,1H3.
What are the key properties of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile?
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 82812744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).