N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

C22H24N4O2 — CID 54385878

IUPACN'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCN(c1ccccc1Cc1ccccc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H24N4O2/c1-24(2)15-16-25(22-21(26(27)28)13-8-14-23-22)20-12-7-6-11-19(20)17-18-9-4-3-5-10-18/h3-14H,15-17H2,1-2H3
InChIKeyWVGMPGRNTBHBNA-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.28
Rot. Bonds8

About N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine

N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 54385878) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID54385878
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCN(c1ccccc1Cc1ccccc1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H24N4O2/c1-24(2)15-16-25(22-21(26(27)28)13-8-14-23-22)20-12-7-6-11-19(20)17-18-9-4-3-5-10-18/h3-14H,15-17H2,1-2H3
InChIKeyWVGMPGRNTBHBNA-UHFFFAOYSA-N
XLogP4.28
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
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,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
N'-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)propane-1,3-diamine
CID 57000020
N-benzyl-N-methyl-2-nitropyridin-3-amine
CID 58577265
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 26449184
1-(3-nitro-2-pyridinyl)-2-phenylethanone
CID 19034910
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
3-chloro-N-(methoxymethyl)-N-(2-nitrophenyl)pyrazin-2-amine;ethane
CID 91501943
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-nitroaniline
CID 133324452
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 54385878) is N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is CN(C)CCN(c1ccccc1Cc1ccccc1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is WVGMPGRNTBHBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-24(2)15-16-25(22-21(26(27)28)13-8-14-23-22)20-12-7-6-11-19(20)17-18-9-4-3-5-10-18/h3-14H,15-17H2,1-2H3.
What are the key properties of N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 376.46 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 54385878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).