N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide

C14H22N4O — CID 62248150

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(NN)cc1
InChIInChI=1S/C14H22N4O/c1-2-18-9-3-4-13(18)10-16-14(19)11-5-7-12(17-15)8-6-11/h5-8,13,17H,2-4,9-10,15H2,1H3,(H,16,19)
InChIKeyJQGFHZZBRIXCDB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide (PubChem CID 62248150) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
PubChem CID62248150
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(NN)cc1
InChIInChI=1S/C14H22N4O/c1-2-18-9-3-4-13(18)10-16-14(19)11-5-7-12(17-15)8-6-11/h5-8,13,17H,2-4,9-10,15H2,1H3,(H,16,19)
InChIKeyJQGFHZZBRIXCDB-UHFFFAOYSA-N
XLogP1.19
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 60724313
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041
N-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 92749457

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide (CID 62248150) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide is CCN1CCCC1CNC(=O)c1ccc(NN)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide?
The InChIKey is JQGFHZZBRIXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18-9-3-4-13(18)10-16-14(19)11-5-7-12(17-15)8-6-11/h5-8,13,17H,2-4,9-10,15H2,1H3,(H,16,19).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide has a molecular weight of 262.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide is sourced from PubChem (CID 62248150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).