5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile

C11H16N4O — CID 103469180

IUPAC5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
SMILESCC(O)CCN(C)c1ncc(C#N)cc1N
InChIInChI=1S/C11H16N4O/c1-8(16)3-4-15(2)11-10(13)5-9(6-12)7-14-11/h5,7-8,16H,3-4,13H2,1-2H3
InChIKeyCCWDDQNDEULVBU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.74
Rot. Bonds4

About 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile

5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 103469180) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID103469180
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
SMILESCC(O)CCN(C)c1ncc(C#N)cc1N
InChIInChI=1S/C11H16N4O/c1-8(16)3-4-15(2)11-10(13)5-9(6-12)7-14-11/h5,7-8,16H,3-4,13H2,1-2H3
InChIKeyCCWDDQNDEULVBU-UHFFFAOYSA-N
XLogP0.74
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 103468035
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
4-[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]butan-2-ol
CID 102759983
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carbonitrile
CID 103468029
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
CID 115681062

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile (CID 103469180) is 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile is CC(O)CCN(C)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is CCWDDQNDEULVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(16)3-4-15(2)11-10(13)5-9(6-12)7-14-11/h5,7-8,16H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile?
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103469180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).