5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile

C11H16N4O2 — CID 103468093

IUPAC5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
SMILESCOCCOCCNc1ncc(C#N)cc1N
InChIInChI=1S/C11H16N4O2/c1-16-4-5-17-3-2-14-11-10(13)6-9(7-12)8-15-11/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyAPSIPMMZNMPAMR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.61
Rot. Bonds7

About 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile

5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile (PubChem CID 103468093) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
PubChem CID103468093
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
SMILESCOCCOCCNc1ncc(C#N)cc1N
InChIInChI=1S/C11H16N4O2/c1-16-4-5-17-3-2-14-11-10(13)6-9(7-12)8-15-11/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyAPSIPMMZNMPAMR-UHFFFAOYSA-N
XLogP0.61
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carbonitrile
CID 103469800
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 106414189
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile (CID 103468093) is 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile is COCCOCCNc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile?
The InChIKey is APSIPMMZNMPAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-16-4-5-17-3-2-14-11-10(13)6-9(7-12)8-15-11/h6,8H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).