5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide

C13H19N5O3 — CID 62640963

IUPAC5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H19N5O3/c14-16-10-3-4-12(18(20)21)11(9-10)13(19)15-5-8-17-6-1-2-7-17/h3-4,9,16H,1-2,5-8,14H2,(H,15,19)
InChIKeySEXLPEUZZCNCRP-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.71
Rot. Bonds6

About 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide

5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 62640963) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID62640963
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1
InChIInChI=1S/C13H19N5O3/c14-16-10-3-4-12(18(20)21)11(9-10)13(19)15-5-8-17-6-1-2-7-17/h3-4,9,16H,1-2,5-8,14H2,(H,15,19)
InChIKeySEXLPEUZZCNCRP-UHFFFAOYSA-N
XLogP0.71
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.71
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

5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 82778500
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
CID 80586206
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236539

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 62640963) is 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide is NNc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is SEXLPEUZZCNCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-16-10-3-4-12(18(20)21)11(9-10)13(19)15-5-8-17-6-1-2-7-17/h3-4,9,16H,1-2,5-8,14H2,(H,15,19).
What are the key properties of 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 62640963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).