6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile

C24H25N7O — CID 70799413

IUPAC6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N)cn1
InChIInChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30)
InChIKeyOVHGMKGIRAADEL-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.74
Rot. Bonds7

About 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile

6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile (PubChem CID 70799413) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile
PubChem CID70799413
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N)cn1
InChIInChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30)
InChIKeyOVHGMKGIRAADEL-UHFFFAOYSA-N
XLogP4.74
TPSA111.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile (CID 70799413) is 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile is Cn1cc(-c2ccc(Nc3ccc(C#N)c(NC4CCCCC4)n3)cc2OCC#N)cn1.
What is the InChIKey of 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile?
The InChIKey is OVHGMKGIRAADEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-31-16-18(15-27-31)21-9-8-20(13-22(21)32-12-11-25)28-23-10-7-17(14-26)24(30-23)29-19-5-3-2-4-6-19/h7-10,13,15-16,19H,2-6,12H2,1H3,(H2,28,29,30).
What are the key properties of 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile?
6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(cyanomethoxy)-4-(1-methylpyrazol-4-yl)anilino]-2-(cyclohexylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 70799413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).