[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate

C19H24N6O3 — CID 174263736

IUPAC[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)CC(C)C)c(N)n1
InChIInChI=1S/C19H24N6O3/c1-12(2)10-18(27)28-15-7-5-4-6-13(15)24-25-14-8-9-16(23-19(14)20)22-17(26)11-21-3/h4-9,12,21H,10-11H2,1-3H3,(H3,20,22,23,26)/b25-24+
InChIKeyNLWIRMMBHJGPCL-OCOZRVBESA-N
MW384.44 g/mol
LogP3.19
Rot. Bonds8

About [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate (PubChem CID 174263736) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate
PubChem CID174263736
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)CC(C)C)c(N)n1
InChIInChI=1S/C19H24N6O3/c1-12(2)10-18(27)28-15-7-5-4-6-13(15)24-25-14-8-9-16(23-19(14)20)22-17(26)11-21-3/h4-9,12,21H,10-11H2,1-3H3,(H3,20,22,23,26)/b25-24+
InChIKeyNLWIRMMBHJGPCL-OCOZRVBESA-N
XLogP3.19
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate
CID 174265100
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]methyl methyl carbonate
CID 164909193
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
CID 174260704
[2-[[2-amino-6-[(2-benzamidoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260658
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
CID 174261142
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260521
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 3,5-dimethylheptanoate
CID 174266374
[2-[[2-amino-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 5-methyl-2-oxo-1,3-dioxole-4-carboxylate
CID 174260997
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-hydroxypropanoate
CID 174263867
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
CID 174260701
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] morpholine-4-carboxylate
CID 164909336

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate?
The IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate (CID 174263736) is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate.
What is the SMILES notation for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate?
The canonical SMILES for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate is CNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)CC(C)C)c(N)n1.
What is the InChIKey of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate?
The InChIKey is NLWIRMMBHJGPCL-OCOZRVBESA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12(2)10-18(27)28-15-7-5-4-6-13(15)24-25-14-8-9-16(23-19(14)20)22-17(26)11-21-3/h4-9,12,21H,10-11H2,1-3H3,(H3,20,22,23,26)/b25-24+.
What are the key properties of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate?
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate has a molecular weight of 384.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate is sourced from PubChem (CID 174263736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).