6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile

C12H13N5O — CID 60968027

IUPAC6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
SMILESCOCCn1cc(Nc2ccc(C#N)cn2)cn1
InChIInChI=1S/C12H13N5O/c1-18-5-4-17-9-11(8-15-17)16-12-3-2-10(6-13)7-14-12/h2-3,7-9H,4-5H2,1H3,(H,14,16)
InChIKeyUJKZGHAMAGFUIW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.54
Rot. Bonds5

About 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile

6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 60968027) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
PubChem CID60968027
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
SMILESCOCCn1cc(Nc2ccc(C#N)cn2)cn1
InChIInChI=1S/C12H13N5O/c1-18-5-4-17-9-11(8-15-17)16-12-3-2-10(6-13)7-14-12/h2-3,7-9H,4-5H2,1H3,(H,14,16)
InChIKeyUJKZGHAMAGFUIW-UHFFFAOYSA-N
XLogP1.54
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3,5-difluoro-4-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]benzonitrile
CID 81293517
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015
N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazin-2-amine
CID 60967013
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-propoxypyrimidin-4-amine
CID 66330572
5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758890
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-nitrobenzonitrile
CID 104717790
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133442537
N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267633
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
CID 172914750
2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
CID 133338800

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile (CID 60968027) is 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile is COCCn1cc(Nc2ccc(C#N)cn2)cn1.
What is the InChIKey of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is UJKZGHAMAGFUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-5-4-17-9-11(8-15-17)16-12-3-2-10(6-13)7-14-12/h2-3,7-9H,4-5H2,1H3,(H,14,16).
What are the key properties of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile?
6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60968027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).