5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile

C10H14N4O — CID 83177474

IUPAC5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(CCO)Nc1ncc(N)cc1C#N
InChIInChI=1S/C10H14N4O/c1-7(2-3-15)14-10-8(5-11)4-9(12)6-13-10/h4,6-7,15H,2-3,12H2,1H3,(H,13,14)
InChIKeySUNWCFAJXJZYAY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.72
Rot. Bonds4

About 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile

5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 83177474) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
PubChem CID83177474
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(CCO)Nc1ncc(N)cc1C#N
InChIInChI=1S/C10H14N4O/c1-7(2-3-15)14-10-8(5-11)4-9(12)6-13-10/h4,6-7,15H,2-3,12H2,1H3,(H,13,14)
InChIKeySUNWCFAJXJZYAY-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile (CID 83177474) is 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile is CC(CCO)Nc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is SUNWCFAJXJZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(2-3-15)14-10-8(5-11)4-9(12)6-13-10/h4,6-7,15H,2-3,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile?
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-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 5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 83177474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).