6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one

C19H15N5O3 — CID 135723187

IUPAC6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2ccc(OC)cc2)c(=O)n(-c2ccccn2)c1O
InChIInChI=1S/C19H15N5O3/c1-12-16(20-2)18(25)24(15-6-4-5-11-21-15)19(26)17(12)23-22-13-7-9-14(27-3)10-8-13/h4-11,25H,1,3H3/b23-22+
InChIKeyAOPPADGTIXFOFG-GHVJWSGMSA-N
MW361.36 g/mol
LogP4.22
Rot. Bonds4

About 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one

6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one (PubChem CID 135723187) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one
PubChem CID135723187
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2ccc(OC)cc2)c(=O)n(-c2ccccn2)c1O
InChIInChI=1S/C19H15N5O3/c1-12-16(20-2)18(25)24(15-6-4-5-11-21-15)19(26)17(12)23-22-13-7-9-14(27-3)10-8-13/h4-11,25H,1,3H3/b23-22+
InChIKeyAOPPADGTIXFOFG-GHVJWSGMSA-N
XLogP4.22
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one (CID 135723187) is 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one is [C-]#[N+]c1c(C)c(/N=N/c2ccc(OC)cc2)c(=O)n(-c2ccccn2)c1O.
What is the InChIKey of 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one?
The InChIKey is AOPPADGTIXFOFG-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-12-16(20-2)18(25)24(15-6-4-5-11-21-15)19(26)17(12)23-22-13-7-9-14(27-3)10-8-13/h4-11,25H,1,3H3/b23-22+.
What are the key properties of 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one?
6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one has a molecular weight of 361.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-isocyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 135723187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).