4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide

C16H18N4O3 — CID 25349409

IUPAC4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-19(2)14-6-5-13(10-15(14)20(22)23)16(21)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21)
InChIKeySWUNIWIZPUHAGO-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.03
Rot. Bonds6

About 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide

4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 25349409) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID25349409
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N4O3/c1-19(2)14-6-5-13(10-15(14)20(22)23)16(21)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21)
InChIKeySWUNIWIZPUHAGO-UHFFFAOYSA-N
XLogP2.03
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
N-cyclopropyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 78831632
4-(dimethylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 27659209
N-butyl-4-(dimethylamino)-3-nitrobenzamide
CID 34230456
3-[[[4-(dimethylamino)-3-nitrobenzoyl]amino]methyl]benzoic acid
CID 108745373
N-[(4-chlorophenyl)methyl]-4-(dimethylamino)-3-nitrobenzamide
CID 27660355
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
[4-(dimethylamino)-3-nitrophenyl]methyl pyridine-3-carboxylate
CID 75477053
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide (CID 25349409) is 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide is CN(C)c1ccc(C(=O)NCCc2cccnc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is SWUNIWIZPUHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19(2)14-6-5-13(10-15(14)20(22)23)16(21)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide?
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 25349409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).