(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate

C15H15N5O4 — CID 164909107

IUPAC(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cc(/N=N/c2ccccc2)c(NC(C)=O)nc1N
InChIInChI=1S/C15H15N5O4/c1-9(21)17-14-11(20-19-10-6-4-3-5-7-10)8-12(13(16)18-14)24-15(22)23-2/h3-8H,1-2H3,(H3,16,17,18,21)/b20-19+
InChIKeyLKCFBVJRGLUOCB-FMQUCBEESA-N
MW329.32 g/mol
LogP3.18
Rot. Bonds4

About (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate

(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate (PubChem CID 164909107) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate.

Molecular Properties

Compound Name(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate
PubChem CID164909107
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate
SMILESCOC(=O)Oc1cc(/N=N/c2ccccc2)c(NC(C)=O)nc1N
InChIInChI=1S/C15H15N5O4/c1-9(21)17-14-11(20-19-10-6-4-3-5-7-10)8-12(13(16)18-14)24-15(22)23-2/h3-8H,1-2H3,(H3,16,17,18,21)/b20-19+
InChIKeyLKCFBVJRGLUOCB-FMQUCBEESA-N
XLogP3.18
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

(6-acetamido-2,5-diamino-3-pyridinyl) methyl carbonate;aniline;ethane
CID 164909077
[2-acetamido-6-(methoxycarbonylamino)-5-phenyldiazenyl-3-pyridinyl] butanoate
CID 164909098
(2,6-diamino-5-phenyldiazenyl-3-pyridinyl) dodecanoate
CID 174260179
N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 164908733
N-[6-amino-3-hydroxy-5-[(4-hydroxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 174261670
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
2-amino-N-(6-amino-5-phenyldiazenyl-2-pyridinyl)propanamide
CID 75184721
ethyl N-[2-amino-6-(nonylamino)-5-phenyldiazenyl-3-pyridinyl]carbamate
CID 110180500
[2,6-diamino-5-[(4-methylphenyl)diazenyl]-3-pyridinyl] butanoate
CID 174260211
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87308906
(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate
CID 90726409
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849

Frequently Asked Questions

What is the IUPAC name of (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate?
The IUPAC name of (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate (CID 164909107) is (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate.
What is the SMILES notation for (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate?
The canonical SMILES for (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate is COC(=O)Oc1cc(/N=N/c2ccccc2)c(NC(C)=O)nc1N.
What is the InChIKey of (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate?
The InChIKey is LKCFBVJRGLUOCB-FMQUCBEESA-N. The full InChI is InChI=1S/C15H15N5O4/c1-9(21)17-14-11(20-19-10-6-4-3-5-7-10)8-12(13(16)18-14)24-15(22)23-2/h3-8H,1-2H3,(H3,16,17,18,21)/b20-19+.
What are the key properties of (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate?
(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate has a molecular weight of 329.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate is sourced from PubChem (CID 164909107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).