5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile

C18H16N10 — CID 58106117

IUPAC5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(NC)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(C)c1C#N
InChIInChI=1S/C18H16N10/c1-11-13(9-20)16(21-2)25-17(22-3)15(11)26-27-18-12(8-19)10-24-28(18)14-6-4-5-7-23-14/h4-7,10H,1-3H3,(H2,21,22,25)/b27-26+
InChIKeyYUARMQPOOSNYSW-CYYJNZCTSA-N
MW372.40 g/mol
LogP3.21
Rot. Bonds5

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

5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile (PubChem CID 58106117) has the molecular formula C18H16N10 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile
PubChem CID58106117
Molecular FormulaC18H16N10
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(NC)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(C)c1C#N
InChIInChI=1S/C18H16N10/c1-11-13(9-20)16(21-2)25-17(22-3)15(11)26-27-18-12(8-19)10-24-28(18)14-6-4-5-7-23-14/h4-7,10H,1-3H3,(H2,21,22,25)/b27-26+
InChIKeyYUARMQPOOSNYSW-CYYJNZCTSA-N
XLogP3.21
TPSA139.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile (CID 58106117) is 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile is CNc1nc(NC)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(C)c1C#N.
What is the InChIKey of 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile?
The InChIKey is YUARMQPOOSNYSW-CYYJNZCTSA-N. The full InChI is InChI=1S/C18H16N10/c1-11-13(9-20)16(21-2)25-17(22-3)15(11)26-27-18-12(8-19)10-24-28(18)14-6-4-5-7-23-14/h4-7,10H,1-3H3,(H2,21,22,25)/b27-26+.
What are the key properties of 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile?
5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile has a molecular weight of 372.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 58106117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).