N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide

C23H16N4O2 — CID 57404680

IUPACN-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide
SMILESCC(=O)Nc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1
InChIInChI=1S/C23H16N4O2/c1-14(28)25-16-6-7-19-21(12-16)29-22-13-20(26-15-8-10-24-11-9-15)17-4-2-3-5-18(17)23(22)27-19/h2-13H,1H3,(H,25,28)/b26-20+
InChIKeyMCDRZFUWNRNVPA-LHLOQNFPSA-N
MW380.41 g/mol
LogP4.67
Rot. Bonds2

About N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide

N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide (PubChem CID 57404680) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide
PubChem CID57404680
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC NameN-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide
SMILESCC(=O)Nc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1
InChIInChI=1S/C23H16N4O2/c1-14(28)25-16-6-7-19-21(12-16)29-22-13-20(26-15-8-10-24-11-9-15)17-4-2-3-5-18(17)23(22)27-19/h2-13H,1H3,(H,25,28)/b26-20+
InChIKeyMCDRZFUWNRNVPA-LHLOQNFPSA-N
XLogP4.67
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide?
The IUPAC name of N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide (CID 57404680) is N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide.
What is the SMILES notation for N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide?
The canonical SMILES for N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide is CC(=O)Nc1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1.
What is the InChIKey of N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide?
The InChIKey is MCDRZFUWNRNVPA-LHLOQNFPSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-14(28)25-16-6-7-19-21(12-16)29-22-13-20(26-15-8-10-24-11-9-15)17-4-2-3-5-18(17)23(22)27-19/h2-13H,1H3,(H,25,28)/b26-20+.
What are the key properties of N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide?
N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide has a molecular weight of 380.41 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yliminobenzo[a]phenoxazin-9-yl)acetamide is sourced from PubChem (CID 57404680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).