N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide

C10H14N4O3 — CID 112580635

IUPACN',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
SMILESCNc1c(C(=O)NN(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-11-9-7(10(15)12-13(2)3)5-4-6-8(9)14(16)17/h4-6,11H,1-3H3,(H,12,15)
InChIKeyWADIQZUPPCYUCK-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.84
Rot. Bonds4

About N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide

N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide (PubChem CID 112580635) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
PubChem CID112580635
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
SMILESCNc1c(C(=O)NN(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-11-9-7(10(15)12-13(2)3)5-4-6-8(9)14(16)17/h4-6,11H,1-3H3,(H,12,15)
InChIKeyWADIQZUPPCYUCK-UHFFFAOYSA-N
XLogP0.84
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
N-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
CID 83023174
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
2-(methylamino)-N-[(1-methylcyclobutyl)methyl]-3-nitrobenzamide
CID 104773289
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936543

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide?
The IUPAC name of N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide (CID 112580635) is N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide?
The canonical SMILES for N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide is CNc1c(C(=O)NN(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide?
The InChIKey is WADIQZUPPCYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-9-7(10(15)12-13(2)3)5-4-6-8(9)14(16)17/h4-6,11H,1-3H3,(H,12,15).
What are the key properties of N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide?
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide has a molecular weight of 238.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide is sourced from PubChem (CID 112580635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).