N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide

C17H15N3O — CID 102477070

IUPACN-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C17H15N3O/c1-10(2)17(21)19-14-6-4-12-7-11-3-5-13(18)8-15(11)20-16(12)9-14/h3-9H,1,18H2,2H3,(H,19,21)
InChIKeyFLEUBINXVQVRFF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.48
Rot. Bonds2

About N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide

N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide (PubChem CID 102477070) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
PubChem CID102477070
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C17H15N3O/c1-10(2)17(21)19-14-6-4-12-7-11-3-5-13(18)8-15(11)20-16(12)9-14/h3-9H,1,18H2,2H3,(H,19,21)
InChIKeyFLEUBINXVQVRFF-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
CID 164529364
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene
CID 145010791
N-[4-hydroxy-3-[6-(2-methylprop-2-enoylamino)-1H-benzimidazol-2-yl]phenyl]-2-methylprop-2-enamide
CID 3091491
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-amine;N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-2-methylprop-2-enamide
CID 160696003
2-chloro-N-[6-(2-chlorobutanoylamino)acridin-3-yl]butanamide
CID 21438228
acridine;acridine-3,6-diamine
CID 21276006
2-methyl-N-(1-oxo-2H-phthalazin-6-yl)prop-2-enamide
CID 67416417
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
CID 172831017
[3-(2-methylprop-2-enoylamino)phenyl]azanium
CID 140585857

Frequently Asked Questions

What is the IUPAC name of N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide (CID 102477070) is N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc2cc3ccc(N)cc3nc2c1.
What is the InChIKey of N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide?
The InChIKey is FLEUBINXVQVRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10(2)17(21)19-14-6-4-12-7-11-3-5-13(18)8-15(11)20-16(12)9-14/h3-9H,1,18H2,2H3,(H,19,21).
What are the key properties of N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide?
N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 102477070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).