6-(3-phenoxypropylamino)pyridine-3-carbonitrile

C15H15N3O — CID 60706290

IUPAC6-(3-phenoxypropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H15N3O/c16-11-13-7-8-15(18-12-13)17-9-4-10-19-14-5-2-1-3-6-14/h1-3,5-8,12H,4,9-10H2,(H,17,18)
InChIKeyBLHSOCRDPAJQTA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds6

About 6-(3-phenoxypropylamino)pyridine-3-carbonitrile

6-(3-phenoxypropylamino)pyridine-3-carbonitrile (PubChem CID 60706290) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-(3-phenoxypropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-phenoxypropylamino)pyridine-3-carbonitrile
PubChem CID60706290
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-(3-phenoxypropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCOc2ccccc2)nc1
InChIInChI=1S/C15H15N3O/c16-11-13-7-8-15(18-12-13)17-9-4-10-19-14-5-2-1-3-6-14/h1-3,5-8,12H,4,9-10H2,(H,17,18)
InChIKeyBLHSOCRDPAJQTA-UHFFFAOYSA-N
XLogP2.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-phenoxypropylamino)pyridine-3-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

6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
6-(2-phenoxyethylamino)pyridazine-3-carbonitrile
CID 163348040
6-(3-phenoxypropylamino)pyridine-3-carbothioamide
CID 62380787
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-[3-(1,2-benzothiazol-3-ylamino)propylamino]pyridine-3-carbonitrile
CID 57436385
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
4-(2-anilinoethoxy)benzonitrile
CID 134030846

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxypropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-phenoxypropylamino)pyridine-3-carbonitrile (CID 60706290) is 6-(3-phenoxypropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-phenoxypropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-phenoxypropylamino)pyridine-3-carbonitrile is N#Cc1ccc(NCCCOc2ccccc2)nc1.
What is the InChIKey of 6-(3-phenoxypropylamino)pyridine-3-carbonitrile?
The InChIKey is BLHSOCRDPAJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-11-13-7-8-15(18-12-13)17-9-4-10-19-14-5-2-1-3-6-14/h1-3,5-8,12H,4,9-10H2,(H,17,18).
What are the key properties of 6-(3-phenoxypropylamino)pyridine-3-carbonitrile?
6-(3-phenoxypropylamino)pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 60706290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).