4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile

C12H13N5 — CID 62924993

IUPAC4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2ccnc2)ccn1
InChIInChI=1S/C12H13N5/c13-9-12-8-11(2-4-16-12)15-3-1-6-17-7-5-14-10-17/h2,4-5,7-8,10H,1,3,6H2,(H,15,16)
InChIKeyDMRUQQAWNZXCQO-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.65
Rot. Bonds5

About 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile

4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 62924993) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
PubChem CID62924993
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2ccnc2)ccn1
InChIInChI=1S/C12H13N5/c13-9-12-8-11(2-4-16-12)15-3-1-6-17-7-5-14-10-17/h2,4-5,7-8,10H,1,3,6H2,(H,15,16)
InChIKeyDMRUQQAWNZXCQO-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'}

Analyze 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
3-bromo-4-(3-imidazol-1-ylpropylamino)benzonitrile
CID 82796853
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile (CID 62924993) is 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCCn2ccnc2)ccn1.
What is the InChIKey of 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is DMRUQQAWNZXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-9-12-8-11(2-4-16-12)15-3-1-6-17-7-5-14-10-17/h2,4-5,7-8,10H,1,3,6H2,(H,15,16).
What are the key properties of 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile?
4-(3-imidazol-1-ylpropylamino)pyridine-2-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 4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).