2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide

C13H19N5O3 — CID 115937147

IUPAC2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNNc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c14-16-12-10(4-3-5-11(12)18(20)21)13(19)15-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H,15,19)
InChIKeySYDLLDXWCIEEHR-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.71
Rot. Bonds6

About 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide

2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 115937147) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID115937147
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNNc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N5O3/c14-16-12-10(4-3-5-11(12)18(20)21)13(19)15-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H,15,19)
InChIKeySYDLLDXWCIEEHR-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

2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 115937147) is 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide is NNc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is SYDLLDXWCIEEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-16-12-10(4-3-5-11(12)18(20)21)13(19)15-6-9-17-7-1-2-8-17/h3-5,16H,1-2,6-9,14H2,(H,15,19).
What are the key properties of 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-hydrazinyl-3-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 2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 115937147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).