5-(3-ethoxypropylamino)pyridine-2-carbonitrile

C11H15N3O — CID 79840049

IUPAC5-(3-ethoxypropylamino)pyridine-2-carbonitrile
SMILESCCOCCCNc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)14-9-11/h4-5,9,13H,2-3,6-7H2,1H3
InChIKeyNZQHAMDCBTUAQG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds6

About 5-(3-ethoxypropylamino)pyridine-2-carbonitrile

5-(3-ethoxypropylamino)pyridine-2-carbonitrile (PubChem CID 79840049) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(3-ethoxypropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-ethoxypropylamino)pyridine-2-carbonitrile
PubChem CID79840049
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(3-ethoxypropylamino)pyridine-2-carbonitrile
SMILESCCOCCCNc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)14-9-11/h4-5,9,13H,2-3,6-7H2,1H3
InChIKeyNZQHAMDCBTUAQG-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

5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-(2-ethylsulfinylethylamino)pyridine-2-carbonitrile
CID 115680961
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
CID 115487722

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-ethoxypropylamino)pyridine-2-carbonitrile (CID 79840049) is 5-(3-ethoxypropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-ethoxypropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-ethoxypropylamino)pyridine-2-carbonitrile is CCOCCCNc1ccc(C#N)nc1.
What is the InChIKey of 5-(3-ethoxypropylamino)pyridine-2-carbonitrile?
The InChIKey is NZQHAMDCBTUAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-15-7-3-6-13-11-5-4-10(8-12)14-9-11/h4-5,9,13H,2-3,6-7H2,1H3.
What are the key properties of 5-(3-ethoxypropylamino)pyridine-2-carbonitrile?
5-(3-ethoxypropylamino)pyridine-2-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 5-(3-ethoxypropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 79840049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).