2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile

C9H6N4 — CID 130054771

IUPAC2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccnc(N)c1
InChIInChI=1S/C9H6N4/c10-5-8(6-11)3-7-1-2-13-9(12)4-7/h1-4H,(H2,12,13)
InChIKeyNHYVSOHEHUQNGR-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.09
Rot. Bonds1

About 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile

2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile (PubChem CID 130054771) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile
PubChem CID130054771
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccnc(N)c1
InChIInChI=1S/C9H6N4/c10-5-8(6-11)3-7-1-2-13-9(12)4-7/h1-4H,(H2,12,13)
InChIKeyNHYVSOHEHUQNGR-UHFFFAOYSA-N
XLogP1.09
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.09
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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Related Compounds

4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
CID 138980431
2-[[3,5-bis(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
CID 100969781
2-[(3,4-difluorophenyl)methylidene]propanedinitrile
CID 786126
2-[[3,5-bis(ethenyl)phenyl]methylidene]propanedinitrile
CID 155672171
2-(1-benzotellurophen-5-ylmethylidene)propanedinitrile
CID 87575918
2-(1-benzotellurophen-6-ylmethylidene)propanedinitrile
CID 87575792
S-[3-(2-amino-4-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] ethanethioate
CID 170804161
2-(1H-indol-5-ylmethylidene)propanedinitrile
CID 5328751
3-(2-fluoro-4-pyridinyl)-2-pyridin-4-ylprop-2-enenitrile
CID 140837743
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040
2-[[4-[[4-(2,2-dicyanoethenyl)-2-ethoxyphenoxy]methoxy]-3-ethoxyphenyl]methylidene]propanedinitrile
CID 50884372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile (CID 130054771) is 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile?
The InChIKey is NHYVSOHEHUQNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-5-8(6-11)3-7-1-2-13-9(12)4-7/h1-4H,(H2,12,13).
What are the key properties of 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile?
2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile has a molecular weight of 170.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methylidene]propanedinitrile is sourced from PubChem (CID 130054771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).