2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile

C10H8N4 — CID 4868616

IUPAC2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile
SMILESCC(Nc1cccnc1)=C(C#N)C#N
InChIInChI=1S/C10H8N4/c1-8(9(5-11)6-12)14-10-3-2-4-13-7-10/h2-4,7,14H,1H3
InChIKeyDWXRHODLWOAWOS-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.81
Rot. Bonds2

About 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile

2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile (PubChem CID 4868616) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile
PubChem CID4868616
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile
SMILESCC(Nc1cccnc1)=C(C#N)C#N
InChIInChI=1S/C10H8N4/c1-8(9(5-11)6-12)14-10-3-2-4-13-7-10/h2-4,7,14H,1H3
InChIKeyDWXRHODLWOAWOS-UHFFFAOYSA-N
XLogP1.81
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile?
The IUPAC name of 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile (CID 4868616) is 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile?
The canonical SMILES for 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile is CC(Nc1cccnc1)=C(C#N)C#N.
What is the InChIKey of 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile?
The InChIKey is DWXRHODLWOAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-8(9(5-11)6-12)14-10-3-2-4-13-7-10/h2-4,7,14H,1H3.
What are the key properties of 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile?
2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile has a molecular weight of 184.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylamino)ethylidene]propanedinitrile is sourced from PubChem (CID 4868616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).