3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile

C14H22N4O — CID 54988134

IUPAC3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCCOc1nc(N(CC)CC(C)C#N)ccc1N
InChIInChI=1S/C14H22N4O/c1-4-8-19-14-12(16)6-7-13(17-14)18(5-2)10-11(3)9-15/h6-7,11H,4-5,8,10,16H2,1-3H3
InChIKeyVSFGPNJSBPOEFW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.44
Rot. Bonds7

About 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile

3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (PubChem CID 54988134) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
PubChem CID54988134
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
SMILESCCCOc1nc(N(CC)CC(C)C#N)ccc1N
InChIInChI=1S/C14H22N4O/c1-4-8-19-14-12(16)6-7-13(17-14)18(5-2)10-11(3)9-15/h6-7,11H,4-5,8,10,16H2,1-3H3
InChIKeyVSFGPNJSBPOEFW-UHFFFAOYSA-N
XLogP2.44
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile
CID 63285578
2-N-methyl-2-N-(2-methylbutyl)-6-propoxypyridine-2,5-diamine
CID 43295635
3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 54988234
4-[(5-amino-6-propoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981083
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 63694450
3-[(5-aminopyrazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 80653025
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79826290
2-N-ethyl-2-N-phenyl-6-propoxypyridine-2,5-diamine
CID 43260685
2-N-methyl-2-N-(2-phenylethyl)-6-propoxypyridine-2,5-diamine
CID 65482936
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxypyridine-2,5-diamine
CID 43587823
2-N-methyl-6-propoxy-2-N-(2-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 43260799
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 62864991

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile (CID 54988134) is 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile is CCCOc1nc(N(CC)CC(C)C#N)ccc1N.
What is the InChIKey of 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is VSFGPNJSBPOEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-8-19-14-12(16)6-7-13(17-14)18(5-2)10-11(3)9-15/h6-7,11H,4-5,8,10,16H2,1-3H3.
What are the key properties of 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile?
3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 262.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-propoxy-2-pyridinyl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 54988134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).