2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile

C14H20N4O — CID 63870014

IUPAC2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCOC2CCNCC2)c1
InChIInChI=1S/C14H20N4O/c15-11-12-2-8-18-14(10-12)17-5-1-9-19-13-3-6-16-7-4-13/h2,8,10,13,16H,1,3-7,9H2,(H,17,18)
InChIKeyOCZBTZVUINQTND-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds6

About 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile

2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile (PubChem CID 63870014) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
PubChem CID63870014
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCOC2CCNCC2)c1
InChIInChI=1S/C14H20N4O/c15-11-12-2-8-18-14(10-12)17-5-1-9-19-13-3-6-16-7-4-13/h2,8,10,13,16H,1,3-7,9H2,(H,17,18)
InChIKeyOCZBTZVUINQTND-UHFFFAOYSA-N
XLogP1.52
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile (CID 63870014) is 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCCOC2CCNCC2)c1.
What is the InChIKey of 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile?
The InChIKey is OCZBTZVUINQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-12-2-8-18-14(10-12)17-5-1-9-19-13-3-6-16-7-4-13/h2,8,10,13,16H,1,3-7,9H2,(H,17,18).
What are the key properties of 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile?
2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 63870014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).