6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile

C11H13N3 — CID 115628479

IUPAC6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
SMILESC/C=C/CCNc1ccc(C#N)cn1
InChIInChI=1S/C11H13N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h2-3,5-6,9H,4,7H2,1H3,(H,13,14)/b3-2+
InChIKeyJTGIAKCKBIPXJV-NSCUHMNNSA-N
MW187.25 g/mol
LogP2.33
Rot. Bonds4

About 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile

6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile (PubChem CID 115628479) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
PubChem CID115628479
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
SMILESC/C=C/CCNc1ccc(C#N)cn1
InChIInChI=1S/C11H13N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h2-3,5-6,9H,4,7H2,1H3,(H,13,14)/b3-2+
InChIKeyJTGIAKCKBIPXJV-NSCUHMNNSA-N
XLogP2.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.33
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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Related Compounds

6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
6-[(5-cyano-2-pyridinyl)amino]-4,4-dimethylhexanoic acid
CID 65284946
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
CID 133480172
6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 166307055

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile (CID 115628479) is 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile is C/C=C/CCNc1ccc(C#N)cn1.
What is the InChIKey of 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile?
The InChIKey is JTGIAKCKBIPXJV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-3-4-7-13-11-6-5-10(8-12)9-14-11/h2-3,5-6,9H,4,7H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile?
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115628479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).