3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile

C12H16N4O2 — CID 106099685

IUPAC3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCC1OCCC1(O)CNc1nccc(C#N)c1N
InChIInChI=1S/C12H16N4O2/c1-8-12(17,3-5-18-8)7-16-11-10(14)9(6-13)2-4-15-11/h2,4,8,17H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyDEDDRNOTNFMNPM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile

3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 106099685) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
PubChem CID106099685
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile
SMILESCC1OCCC1(O)CNc1nccc(C#N)c1N
InChIInChI=1S/C12H16N4O2/c1-8-12(17,3-5-18-8)7-16-11-10(14)9(6-13)2-4-15-11/h2,4,8,17H,3,5,7,14H2,1H3,(H,15,16)
InChIKeyDEDDRNOTNFMNPM-UHFFFAOYSA-N
XLogP0.49
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile (CID 106099685) is 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile is CC1OCCC1(O)CNc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is DEDDRNOTNFMNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-12(17,3-5-18-8)7-16-11-10(14)9(6-13)2-4-15-11/h2,4,8,17H,3,5,7,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 106099685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).