3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile

C14H22N4O2 — CID 63285578

IUPAC3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCCOc1nc(N(CCC#N)CCOC)ccc1N
InChIInChI=1S/C14H22N4O2/c1-3-10-20-14-12(16)5-6-13(17-14)18(8-4-7-15)9-11-19-2/h5-6H,3-4,8-11,16H2,1-2H3
InChIKeyBWCMCAWLULLNJD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.82
Rot. Bonds9

About 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile

3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63285578) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID63285578
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCCOc1nc(N(CCC#N)CCOC)ccc1N
InChIInChI=1S/C14H22N4O2/c1-3-10-20-14-12(16)5-6-13(17-14)18(8-4-7-15)9-11-19-2/h5-6H,3-4,8-11,16H2,1-2H3
InChIKeyBWCMCAWLULLNJD-UHFFFAOYSA-N
XLogP1.82
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-methoxyethyl)amino]propanenitrile
CID 63285621
3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988134
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 63694450
6-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 64587966
4-[(5-amino-6-propoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981083
2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine
CID 65482936
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
3-[6-amino-2,3-difluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285147
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
CID 114090352
2-[(5-amino-6-ethoxy-2-pyridinyl)-propylamino]ethanol
CID 61425083
3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
CID 63286635
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile (CID 63285578) is 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile is CCCOc1nc(N(CCC#N)CCOC)ccc1N.
What is the InChIKey of 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is BWCMCAWLULLNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-10-20-14-12(16)5-6-13(17-14)18(8-4-7-15)9-11-19-2/h5-6H,3-4,8-11,16H2,1-2H3.
What are the key properties of 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile?
3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 278.36 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63285578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).