6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile

C12H13N5 — CID 28880579

IUPAC6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C12H13N5/c13-8-11-2-3-12(16-9-11)15-4-1-6-17-7-5-14-10-17/h2-3,5,7,9-10H,1,4,6H2,(H,15,16)
InChIKeyWVSLJTGVYKPMQB-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.65
Rot. Bonds5

About 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile

6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile (PubChem CID 28880579) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
PubChem CID28880579
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C12H13N5/c13-8-11-2-3-12(16-9-11)15-4-1-6-17-7-5-14-10-17/h2-3,5,7,9-10H,1,4,6H2,(H,15,16)
InChIKeyWVSLJTGVYKPMQB-UHFFFAOYSA-N
XLogP1.65
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
3-bromo-4-(3-imidazol-1-ylpropylamino)benzonitrile
CID 82796853
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
CID 75505975
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111

Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile (CID 28880579) is 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile is N#Cc1ccc(NCCCn2ccnc2)nc1.
What is the InChIKey of 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile?
The InChIKey is WVSLJTGVYKPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-8-11-2-3-12(16-9-11)15-4-1-6-17-7-5-14-10-17/h2-3,5,7,9-10H,1,4,6H2,(H,15,16).
What are the key properties of 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile?
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 28880579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).