2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide

C20H21N11O2 — CID 58106178

IUPAC2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide
SMILESCNc1nc(N(CC(N)=O)CC(N)=O)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C20H21N11O2/c1-12-7-17(30(10-14(22)32)11-15(23)33)27-19(24-2)18(12)28-29-20-13(8-21)9-26-31(20)16-5-3-4-6-25-16/h3-7,9H,10-11H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+
InChIKeyXCDWDYOXOOXFKI-ZQHSETAFSA-N
MW447.46 g/mol
LogP1.08
Rot. Bonds9

About 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide (PubChem CID 58106178) has the molecular formula C20H21N11O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide
PubChem CID58106178
Molecular FormulaC20H21N11O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide
SMILESCNc1nc(N(CC(N)=O)CC(N)=O)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C20H21N11O2/c1-12-7-17(30(10-14(22)32)11-15(23)33)27-19(24-2)18(12)28-29-20-13(8-21)9-26-31(20)16-5-3-4-6-25-16/h3-7,9H,10-11H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+
InChIKeyXCDWDYOXOOXFKI-ZQHSETAFSA-N
XLogP1.08
TPSA193.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 51.08
H-Bond Donors ≤ 53
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-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide (CID 58106178) is 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide is CNc1nc(N(CC(N)=O)CC(N)=O)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide?
The InChIKey is XCDWDYOXOOXFKI-ZQHSETAFSA-N. The full InChI is InChI=1S/C20H21N11O2/c1-12-7-17(30(10-14(22)32)11-15(23)33)27-19(24-2)18(12)28-29-20-13(8-21)9-26-31(20)16-5-3-4-6-25-16/h3-7,9H,10-11H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+.
What are the key properties of 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide has a molecular weight of 447.46 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 58106178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).