3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile

C12H15N3O — CID 103888654

IUPAC3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCCOCC1CC1
InChIInChI=1S/C12H15N3O/c13-7-11-3-4-14-8-12(11)15-5-6-16-9-10-1-2-10/h3-4,8,10,15H,1-2,5-6,9H2
InChIKeyOCRNOQMTGYDRLN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.79
Rot. Bonds6

About 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile

3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile (PubChem CID 103888654) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
PubChem CID103888654
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1NCCOCC1CC1
InChIInChI=1S/C12H15N3O/c13-7-11-3-4-14-8-12(11)15-5-6-16-9-10-1-2-10/h3-4,8,10,15H,1-2,5-6,9H2
InChIKeyOCRNOQMTGYDRLN-UHFFFAOYSA-N
XLogP1.79
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
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

3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile (CID 103888654) is 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile is N#Cc1ccncc1NCCOCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
The InChIKey is OCRNOQMTGYDRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-11-3-4-14-8-12(11)15-5-6-16-9-10-1-2-10/h3-4,8,10,15H,1-2,5-6,9H2.
What are the key properties of 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile?
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile has a molecular weight of 217.27 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 3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 103888654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).