N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide

C12H19N5O3 — CID 62249235

IUPACN-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
SMILESCN(C)CCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-16(2)7-3-6-14-12(18)9-4-5-10(15-13)11(8-9)17(19)20/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,18)
InChIKeyIRYUTQGNAPWIHD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.56
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide

N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide (PubChem CID 62249235) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
PubChem CID62249235
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
SMILESCN(C)CCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H19N5O3/c1-16(2)7-3-6-14-12(18)9-4-5-10(15-13)11(8-9)17(19)20/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,18)
InChIKeyIRYUTQGNAPWIHD-UHFFFAOYSA-N
XLogP0.56
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
CID 115522197
N-[4-(dimethylamino)butyl]-3-(methylamino)-4-nitrobenzamide
CID 62682681
N-[2-(dimethylamino)ethyl]-4-methyl-3-nitrobenzamide
CID 878179
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
N-butyl-4-(butylamino)-3-nitrobenzamide
CID 10957327
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide (CID 62249235) is N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide is CN(C)CCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide?
The InChIKey is IRYUTQGNAPWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16(2)7-3-6-14-12(18)9-4-5-10(15-13)11(8-9)17(19)20/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,18).
What are the key properties of N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide?
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide has a molecular weight of 281.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 62249235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).