3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile

C13H20N4O — CID 63284752

IUPAC3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)C(CN)c1ccccn1
InChIInChI=1S/C13H20N4O/c1-18-10-9-17(8-4-6-14)13(11-15)12-5-2-3-7-16-12/h2-3,5,7,13H,4,8-11,15H2,1H3
InChIKeyYCCGSJXYZDAXOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds8

About 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile

3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63284752) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID63284752
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)C(CN)c1ccccn1
InChIInChI=1S/C13H20N4O/c1-18-10-9-17(8-4-6-14)13(11-15)12-5-2-3-7-16-12/h2-3,5,7,13H,4,8-11,15H2,1H3
InChIKeyYCCGSJXYZDAXOO-UHFFFAOYSA-N
XLogP0.94
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
4-amino-4-pyridin-2-ylbutanenitrile
CID 116940079
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propanenitrile
CID 55022708
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile (CID 63284752) is 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)C(CN)c1ccccn1.
What is the InChIKey of 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is YCCGSJXYZDAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-10-9-17(8-4-6-14)13(11-15)12-5-2-3-7-16-12/h2-3,5,7,13H,4,8-11,15H2,1H3.
What are the key properties of 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile?
3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 248.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63284752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).