3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile

C11H16N4O2 — CID 106243451

IUPAC3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
SMILESCOCC(O)CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-8(16)4-5-14-11-3-2-9(13)10(6-12)15-11/h2-3,8,16H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyYZCKPLFZLWCGIH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.34
Rot. Bonds6

About 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile

3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile (PubChem CID 106243451) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
PubChem CID106243451
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
SMILESCOCC(O)CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-8(16)4-5-14-11-3-2-9(13)10(6-12)15-11/h2-3,8,16H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyYZCKPLFZLWCGIH-UHFFFAOYSA-N
XLogP0.34
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
2-[(5-amino-6-cyano-2-pyridinyl)amino]-2-methylpropanamide
CID 103468133
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
CID 103875760
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile (CID 106243451) is 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile is COCC(O)CCNc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile?
The InChIKey is YZCKPLFZLWCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-7-8(16)4-5-14-11-3-2-9(13)10(6-12)15-11/h2-3,8,16H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile?
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106243451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).