4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile

C17H19N3 — CID 56721825

IUPAC4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCCCN(Cc1ccncc1)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3/c1-2-11-20(14-17-7-9-19-10-8-17)13-16-5-3-15(12-18)4-6-16/h3-10H,2,11,13-14H2,1H3
InChIKeyMVPMNEZAFLTTGI-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds6

About 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile

4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile (PubChem CID 56721825) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
PubChem CID56721825
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCCCN(Cc1ccncc1)Cc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3/c1-2-11-20(14-17-7-9-19-10-8-17)13-16-5-3-15(12-18)4-6-16/h3-10H,2,11,13-14H2,1H3
InChIKeyMVPMNEZAFLTTGI-UHFFFAOYSA-N
XLogP3.37
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile (CID 56721825) is 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile is CCCN(Cc1ccncc1)Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is MVPMNEZAFLTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-11-20(14-17-7-9-19-10-8-17)13-16-5-3-15(12-18)4-6-16/h3-10H,2,11,13-14H2,1H3.
What are the key properties of 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile?
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 56721825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).