2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile

C22H17N11 — CID 58106141

IUPAC2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(Nc2ccccc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C22H17N11/c1-14-17(12-24)19(29-16-7-4-3-5-8-16)30-20(25-2)18(14)31-32-21-15(11-23)13-28-33(21)22-26-9-6-10-27-22/h3-10,13H,1-2H3,(H2,25,29,30)/b32-31+
InChIKeyWRCMBVGSYPEBQZ-QNEJGDQOSA-N
MW435.46 g/mol
LogP4.31
Rot. Bonds6

About 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile

2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile (PubChem CID 58106141) has the molecular formula C22H17N11 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile
PubChem CID58106141
Molecular FormulaC22H17N11
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(Nc2ccccc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1
InChIInChI=1S/C22H17N11/c1-14-17(12-24)19(29-16-7-4-3-5-8-16)30-20(25-2)18(14)31-32-21-15(11-23)13-28-33(21)22-26-9-6-10-27-22/h3-10,13H,1-2H3,(H2,25,29,30)/b32-31+
InChIKeyWRCMBVGSYPEBQZ-QNEJGDQOSA-N
XLogP4.31
TPSA152.85 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile (CID 58106141) is 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile is CNc1nc(Nc2ccccc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1.
What is the InChIKey of 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile?
The InChIKey is WRCMBVGSYPEBQZ-QNEJGDQOSA-N. The full InChI is InChI=1S/C22H17N11/c1-14-17(12-24)19(29-16-7-4-3-5-8-16)30-20(25-2)18(14)31-32-21-15(11-23)13-28-33(21)22-26-9-6-10-27-22/h3-10,13H,1-2H3,(H2,25,29,30)/b32-31+.
What are the key properties of 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile?
2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile has a molecular weight of 435.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 58106141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).