2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

C17H17N3O2 — CID 4858

IUPAC2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUYJZZVDLGDDTCL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.18
Rot. Bonds3

About 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide (PubChem CID 4858) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide
PubChem CID4858
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide
SMILESCN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
InChIInChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUYJZZVDLGDDTCL-UHFFFAOYSA-N
XLogP2.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6(5H)-Phenanthridinone
CID 1853
Amonafide
CID 50515
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
ML SA1
CID 2880983
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
6(5h)-Phenanthridinone, 2-amino-
CID 270668
2-Nitro-6(5H)-phenanthridinone
CID 157180
1-Phenethylamino-3H-naphtho(1,2,3-de)quinoline-2,7-dione
CID 1080352
Solvent Yellow 44
CID 75589
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11282296
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide (CID 4858) is 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide is CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1.
What is the InChIKey of 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide?
The InChIKey is UYJZZVDLGDDTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide?
2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide is sourced from PubChem (CID 4858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).