6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile

C12H18N4O — CID 133480172

IUPAC6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCCN(CCO)CCNc1ccc(C#N)cn1
InChIInChI=1S/C12H18N4O/c1-2-16(7-8-17)6-5-14-12-4-3-11(9-13)10-15-12/h3-4,10,17H,2,5-8H2,1H3,(H,14,15)
InChIKeyOVGRLJGZKYSSPE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.68
Rot. Bonds7

About 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile

6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 133480172) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
PubChem CID133480172
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
SMILESCCN(CCO)CCNc1ccc(C#N)cn1
InChIInChI=1S/C12H18N4O/c1-2-16(7-8-17)6-5-14-12-4-3-11(9-13)10-15-12/h3-4,10,17H,2,5-8H2,1H3,(H,14,15)
InChIKeyOVGRLJGZKYSSPE-UHFFFAOYSA-N
XLogP0.68
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62182263
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
2-[[(5-cyano-2-pyridinyl)amino]methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 56805452
N',N'-diethyl-N-(5-hydrazinyl-2-pyridinyl)ethane-1,2-diamine
CID 82055040
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
tert-butyl N-[3-[(5-cyano-2-pyridinyl)amino]propyl]-N-cyclopropylcarbamate
CID 60502996
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963

Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile (CID 133480172) is 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile is CCN(CCO)CCNc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is OVGRLJGZKYSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-16(7-8-17)6-5-14-12-4-3-11(9-13)10-15-12/h3-4,10,17H,2,5-8H2,1H3,(H,14,15).
What are the key properties of 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133480172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).