N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide

C20H14N10O2 — CID 58120875

IUPACN-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide
SMILESCC(=O)Nc1cc(/N=N/c2c(C#N)cnn2-c2ncccn2)ccc1Oc1ncccn1
InChIInChI=1S/C20H14N10O2/c1-13(31)27-16-10-15(4-5-17(16)32-20-24-8-3-9-25-20)28-29-18-14(11-21)12-26-30(18)19-22-6-2-7-23-19/h2-10,12H,1H3,(H,27,31)/b29-28+
InChIKeyLJAQPYZXWCBZER-ZQHSETAFSA-N
MW426.40 g/mol
LogP3.49
Rot. Bonds6

About N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide

N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide (PubChem CID 58120875) has the molecular formula C20H14N10O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide
PubChem CID58120875
Molecular FormulaC20H14N10O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide
SMILESCC(=O)Nc1cc(/N=N/c2c(C#N)cnn2-c2ncccn2)ccc1Oc1ncccn1
InChIInChI=1S/C20H14N10O2/c1-13(31)27-16-10-15(4-5-17(16)32-20-24-8-3-9-25-20)28-29-18-14(11-21)12-26-30(18)19-22-6-2-7-23-19/h2-10,12H,1H3,(H,27,31)/b29-28+
InChIKeyLJAQPYZXWCBZER-ZQHSETAFSA-N
XLogP3.49
TPSA156.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
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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Related Compounds

4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-phenyl-3-pyrimidin-2-yloxyanthracene-2-carboxamide
CID 163907161
2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
CID 58120891
N-[2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-5-(dimethylamino)phenyl]methanesulfonamide
CID 58120851
2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-[4-[[2-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
CID 58120822
1-pyrimidin-2-yl-5-[[2,4,6-tris(methylamino)pyrimidin-5-yl]diazenyl]pyrazole-4-carbonitrile
CID 89009909
N-[4-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 136994641
2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
CID 58120845
2-anilino-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)pyridine-3-carbonitrile
CID 58106141
2,5-dichloro-4-[5-[[3-chloro-4-hydroxy-5-(propanoylamino)phenyl]diazenyl]-4-cyanopyrazol-1-yl]benzenesulfonic acid
CID 135421374
4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
CID 163859214
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
2-[[4-cyano-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
CID 58120809

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide?
The IUPAC name of N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide (CID 58120875) is N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide?
The canonical SMILES for N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide is CC(=O)Nc1cc(/N=N/c2c(C#N)cnn2-c2ncccn2)ccc1Oc1ncccn1.
What is the InChIKey of N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide?
The InChIKey is LJAQPYZXWCBZER-ZQHSETAFSA-N. The full InChI is InChI=1S/C20H14N10O2/c1-13(31)27-16-10-15(4-5-17(16)32-20-24-8-3-9-25-20)28-29-18-14(11-21)12-26-30(18)19-22-6-2-7-23-19/h2-10,12H,1H3,(H,27,31)/b29-28+.
What are the key properties of N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide?
N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide has a molecular weight of 426.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-pyrimidin-2-yloxyphenyl]acetamide is sourced from PubChem (CID 58120875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).