N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide

C24H17N2O2+ — CID 101406375

IUPACN-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)Nc1ccc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C24H16N2O2/c27-22(15-26-13-4-1-5-14-26)25-21-12-11-17-16-7-2-3-8-18(16)24(28)20-10-6-9-19(21)23(17)20/h1-14H,15H2/p+1
InChIKeyMDOSIWJZRIUKLB-UHFFFAOYSA-O
MW365.41 g/mol
LogP3.98
Rot. Bonds3

About N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide

N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide (PubChem CID 101406375) has the molecular formula C24H17N2O2+ and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide
PubChem CID101406375
Molecular FormulaC24H17N2O2+
Molecular Weight365.41 g/mol
Exact Mass365.13
IUPAC NameN-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide
SMILESO=C(C[n+]1ccccc1)Nc1ccc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C24H16N2O2/c27-22(15-26-13-4-1-5-14-26)25-21-12-11-17-16-7-2-3-8-18(16)24(28)20-10-6-9-19(21)23(17)20/h1-14H,15H2/p+1
InChIKeyMDOSIWJZRIUKLB-UHFFFAOYSA-O
XLogP3.98
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tris[2-oxo-2-[(7-oxobenzo[a]phenalen-3-yl)amino]ethyl] benzene-1,3,5-tricarboxylate
CID 177491985
3-(2-hydroxyethylamino)benzo[b]phenalen-7-one
CID 12007934
[(7-oxobenzo[a]phenalen-3-yl)amino] hydrogen sulfate
CID 154699784
N-[1-hydroxy-8-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-2-yl]-2-pyridin-1-ium-1-ylacetamide dichloride
CID 18172744
N-[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]ethyl]-2-pyridin-1-ium-1-ylacetamide
CID 169006741
N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
CID 19993619
2-(3-acetylpyridin-1-ium-1-yl)-N-naphthalen-1-ylacetamide
CID 2701298
N-(2,6-dimethylphenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958731
N-phenyl-2-(4-phenylpyridin-1-ium-1-yl)acetamide
CID 22890003
CID 22956531
CID 22956531
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
CID 8317
2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
CID 4033927

Frequently Asked Questions

What is the IUPAC name of N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide (CID 101406375) is N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide is O=C(C[n+]1ccccc1)Nc1ccc2c3c(cccc13)C(=O)c1ccccc1-2.
What is the InChIKey of N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is MDOSIWJZRIUKLB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H16N2O2/c27-22(15-26-13-4-1-5-14-26)25-21-12-11-17-16-7-2-3-8-18(16)24(28)20-10-6-9-19(21)23(17)20/h1-14H,15H2/p+1.
What are the key properties of N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide?
N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 365.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxobenzo[a]phenalen-3-yl)-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 101406375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).