2-(2-butoxyethylamino)pyridine-3-carbonitrile

C12H17N3O — CID 61175093

IUPAC2-(2-butoxyethylamino)pyridine-3-carbonitrile
SMILESCCCCOCCNc1ncccc1C#N
InChIInChI=1S/C12H17N3O/c1-2-3-8-16-9-7-15-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3,(H,14,15)
InChIKeyOFHXXHBSRNSDHA-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.18
Rot. Bonds7

About 2-(2-butoxyethylamino)pyridine-3-carbonitrile

2-(2-butoxyethylamino)pyridine-3-carbonitrile (PubChem CID 61175093) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-butoxyethylamino)pyridine-3-carbonitrile
PubChem CID61175093
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-butoxyethylamino)pyridine-3-carbonitrile
SMILESCCCCOCCNc1ncccc1C#N
InChIInChI=1S/C12H17N3O/c1-2-3-8-16-9-7-15-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3,(H,14,15)
InChIKeyOFHXXHBSRNSDHA-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.18
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

2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
1-(3-butoxypropyl)-3-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-methylguanidine
CID 75533381
1-(3-butoxypropyl)-3-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 75533380
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
CID 154733870
2-(2-butoxyethoxy)pyridine-3-carbonitrile
CID 29001144
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
[2-(3-butoxypropylamino)-3-pyridinyl]methanol
CID 82341843
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-butoxyethylamino)pyridine-3-carbonitrile (CID 61175093) is 2-(2-butoxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-butoxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-butoxyethylamino)pyridine-3-carbonitrile is CCCCOCCNc1ncccc1C#N.
What is the InChIKey of 2-(2-butoxyethylamino)pyridine-3-carbonitrile?
The InChIKey is OFHXXHBSRNSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-3-8-16-9-7-15-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-butoxyethylamino)pyridine-3-carbonitrile?
2-(2-butoxyethylamino)pyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 61175093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).