2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide

C13H19N5O3 — CID 62237807

IUPAC2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
SMILESCN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NN)C1
InChIInChI=1S/C13H19N5O3/c1-17-5-4-9(8-17)7-15-13(19)11-6-10(18(20)21)2-3-12(11)16-14/h2-3,6,9,16H,4-5,7-8,14H2,1H3,(H,15,19)
InChIKeyZGXSFCSNUTXCTF-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.56
Rot. Bonds5

About 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide

2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide (PubChem CID 62237807) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
PubChem CID62237807
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide
SMILESCN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NN)C1
InChIInChI=1S/C13H19N5O3/c1-17-5-4-9(8-17)7-15-13(19)11-6-10(18(20)21)2-3-12(11)16-14/h2-3,6,9,16H,4-5,7-8,14H2,1H3,(H,15,19)
InChIKeyZGXSFCSNUTXCTF-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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-[(1-methylpiperidin-3-yl)methylamino]-5-nitrobenzamide
CID 133454540
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 63737968
4-hydrazinyl-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 113400240
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
2-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-3-nitrobenzamide
CID 115930947
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 62681454
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
CID 63293487
2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
CID 16895615

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide (CID 62237807) is 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide is CN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NN)C1.
What is the InChIKey of 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide?
The InChIKey is ZGXSFCSNUTXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-17-5-4-9(8-17)7-15-13(19)11-6-10(18(20)21)2-3-12(11)16-14/h2-3,6,9,16H,4-5,7-8,14H2,1H3,(H,15,19).
What are the key properties of 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide?
2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide has a molecular weight of 293.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 62237807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).