3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile

C10H14N4O — CID 103468589

IUPAC3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
SMILESCC(O)CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4O/c1-7(15)4-5-13-10-3-2-8(12)9(6-11)14-10/h2-3,7,15H,4-5,12H2,1H3,(H,13,14)
InChIKeyAPQMVOCMPYQPFQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.72
Rot. Bonds4

About 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile

3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile (PubChem CID 103468589) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
PubChem CID103468589
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
SMILESCC(O)CCNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4O/c1-7(15)4-5-13-10-3-2-8(12)9(6-11)14-10/h2-3,7,15H,4-5,12H2,1H3,(H,13,14)
InChIKeyAPQMVOCMPYQPFQ-UHFFFAOYSA-N
XLogP0.72
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
3-amino-6-[2-(2-hydroxyethoxy)ethylamino]pyridine-2-carbonitrile
CID 103468258
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile (CID 103468589) is 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile is CC(O)CCNc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile?
The InChIKey is APQMVOCMPYQPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15)4-5-13-10-3-2-8(12)9(6-11)14-10/h2-3,7,15H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile?
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103468589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).