3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide

C13H19N5O3 — CID 106025899

IUPAC3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
SMILESCN1CCCC1CNC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-17-7-3-4-9(17)8-15-13(19)10-5-2-6-11(16-14)12(10)18(20)21/h2,5-6,9,16H,3-4,7-8,14H2,1H3,(H,15,19)
InChIKeyRPVZXKKAUQZRQS-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.70
Rot. Bonds5

About 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide

3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide (PubChem CID 106025899) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
PubChem CID106025899
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
SMILESCN1CCCC1CNC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c1-17-7-3-4-9(17)8-15-13(19)10-5-2-6-11(16-14)12(10)18(20)21/h2,5-6,9,16H,3-4,7-8,14H2,1H3,(H,15,19)
InChIKeyRPVZXKKAUQZRQS-UHFFFAOYSA-N
XLogP0.70
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103733778
2-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
CID 103800126
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
(3-hydrazinyl-2-nitrophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 115549496
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
4-hydrazinyl-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 106025891
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide (CID 106025899) is 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide is CN1CCCC1CNC(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide?
The InChIKey is RPVZXKKAUQZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-17-7-3-4-9(17)8-15-13(19)10-5-2-6-11(16-14)12(10)18(20)21/h2,5-6,9,16H,3-4,7-8,14H2,1H3,(H,15,19).
What are the key properties of 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide?
3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide has a molecular weight of 293.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 106025899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).