6-(3-ethoxypropylamino)pyridine-3-carbonitrile

C11H15N3O — CID 24692457

IUPAC6-(3-ethoxypropylamino)pyridine-3-carbonitrile
SMILESCCOCCCNc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)9-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIEZPOPFEBRSJCL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds6

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

6-(3-ethoxypropylamino)pyridine-3-carbonitrile (PubChem CID 24692457) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(3-ethoxypropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-ethoxypropylamino)pyridine-3-carbonitrile
PubChem CID24692457
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-(3-ethoxypropylamino)pyridine-3-carbonitrile
SMILESCCOCCCNc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)9-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyIEZPOPFEBRSJCL-UHFFFAOYSA-N
XLogP1.79
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
4-(3-ethoxypropylamino)-3-methoxybenzonitrile
CID 104848581
[6-[(5-cyano-2-pyridinyl)amino]-2,2-dimethylhexan-3-yl] carbamate
CID 67218178
6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
CID 133480172
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-ethoxypropylamino)pyridine-3-carbonitrile (CID 24692457) is 6-(3-ethoxypropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-ethoxypropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-ethoxypropylamino)pyridine-3-carbonitrile is CCOCCCNc1ccc(C#N)cn1.
What is the InChIKey of 6-(3-ethoxypropylamino)pyridine-3-carbonitrile?
The InChIKey is IEZPOPFEBRSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)9-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 6-(3-ethoxypropylamino)pyridine-3-carbonitrile?
6-(3-ethoxypropylamino)pyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 24692457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).