5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile

C11H13N3O — CID 115744697

IUPAC5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile
SMILESC=CCN(CCO)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O/c1-2-5-14(6-7-15)11-4-3-10(8-12)13-9-11/h2-4,9,15H,1,5-7H2
InChIKeyYPYSTFYFKIEGMU-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.94
Rot. Bonds5

About 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile

5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile (PubChem CID 115744697) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile
PubChem CID115744697
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile
SMILESC=CCN(CCO)c1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O/c1-2-5-14(6-7-15)11-4-3-10(8-12)13-9-11/h2-4,9,15H,1,5-7H2
InChIKeyYPYSTFYFKIEGMU-UHFFFAOYSA-N
XLogP0.94
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-prop-2-enylamino]ethanol
CID 104869538
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
CID 104843952
6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile
CID 64593518
3-fluoro-4-[2-hydroxyethyl(prop-2-enyl)amino]benzonitrile
CID 115744735
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
1-[5-[prop-2-enyl(propyl)amino]-2-pyridinyl]ethanone
CID 83119863
5-fluoro-2-[2-hydroxyethyl(prop-2-enyl)amino]benzonitrile
CID 115744685
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile (CID 115744697) is 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile is C=CCN(CCO)c1ccc(C#N)nc1.
What is the InChIKey of 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile?
The InChIKey is YPYSTFYFKIEGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-14(6-7-15)11-4-3-10(8-12)13-9-11/h2-4,9,15H,1,5-7H2.
What are the key properties of 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile?
5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115744697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).