5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile

C13H17N3 — CID 133436130

IUPAC5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
SMILESC=CCCCC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C13H17N3/c1-3-4-5-6-11(2)16-13-8-7-12(9-14)15-10-13/h3,7-8,10-11,16H,1,4-6H2,2H3
InChIKeyGLNNACLVHGXMBB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.11
Rot. Bonds6

About 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile

5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile (PubChem CID 133436130) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
PubChem CID133436130
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
SMILESC=CCCCC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C13H17N3/c1-3-4-5-6-11(2)16-13-8-7-12(9-14)15-10-13/h3,7-8,10-11,16H,1,4-6H2,2H3
InChIKeyGLNNACLVHGXMBB-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile (CID 133436130) is 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile is C=CCCCC(C)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is GLNNACLVHGXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-4-5-6-11(2)16-13-8-7-12(9-14)15-10-13/h3,7-8,10-11,16H,1,4-6H2,2H3.
What are the key properties of 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile?
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 133436130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).