3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile

C11H14N4 — CID 103469092

IUPAC3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
SMILESC/C=C/CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H14N4/c1-2-3-4-7-14-11-6-5-9(13)10(8-12)15-11/h2-3,5-6H,4,7,13H2,1H3,(H,14,15)/b3-2+
InChIKeyOXGCLMJCRCHPPD-NSCUHMNNSA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile

3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile (PubChem CID 103469092) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
PubChem CID103469092
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
SMILESC/C=C/CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H14N4/c1-2-3-4-7-14-11-6-5-9(13)10(8-12)15-11/h2-3,5-6H,4,7,13H2,1H3,(H,14,15)/b3-2+
InChIKeyOXGCLMJCRCHPPD-NSCUHMNNSA-N
XLogP1.91
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
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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Related Compounds

3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
CID 103467331
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
CID 103468558
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 106036110
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103468827

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile (CID 103469092) is 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile is C/C=C/CCNc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile?
The InChIKey is OXGCLMJCRCHPPD-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-3-4-7-14-11-6-5-9(13)10(8-12)15-11/h2-3,5-6H,4,7,13H2,1H3,(H,14,15)/b3-2+.
What are the key properties of 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile?
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103469092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).