2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile

C14H20N4 — CID 70434466

IUPAC2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile
SMILESC=CCNc1ccc(C#N)c(NCCCCC)n1
InChIInChI=1S/C14H20N4/c1-3-5-6-10-17-14-12(11-15)7-8-13(18-14)16-9-4-2/h4,7-8H,2-3,5-6,9-10H2,1H3,(H2,16,17,18)
InChIKeyXBPJSNNLLMLLQZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.15
Rot. Bonds8

About 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile

2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile (PubChem CID 70434466) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile
PubChem CID70434466
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile
SMILESC=CCNc1ccc(C#N)c(NCCCCC)n1
InChIInChI=1S/C14H20N4/c1-3-5-6-10-17-14-12(11-15)7-8-13(18-14)16-9-4-2/h4,7-8H,2-3,5-6,9-10H2,1H3,(H2,16,17,18)
InChIKeyXBPJSNNLLMLLQZ-UHFFFAOYSA-N
XLogP3.15
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile (CID 70434466) is 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile is C=CCNc1ccc(C#N)c(NCCCCC)n1.
What is the InChIKey of 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile?
The InChIKey is XBPJSNNLLMLLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-5-6-10-17-14-12(11-15)7-8-13(18-14)16-9-4-2/h4,7-8H,2-3,5-6,9-10H2,1H3,(H2,16,17,18).
What are the key properties of 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile?
2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-6-(prop-2-enylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 70434466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).