N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide

C17H22N4O2 — CID 24979529

IUPACN'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)14-10-8-13(9-11-14)16(22)18-19-17(23)15-7-6-12-20(15)3/h6-12H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyIJXSDAGLMINXCY-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.95
Rot. Bonds5

About N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide

N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24979529) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24979529
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)14-10-8-13(9-11-14)16(22)18-19-17(23)15-7-6-12-20(15)3/h6-12H,4-5H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyIJXSDAGLMINXCY-UHFFFAOYSA-N
XLogP1.95
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide (CID 24979529) is N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)c2cccn2C)cc1.
What is the InChIKey of N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is IJXSDAGLMINXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(5-2)14-10-8-13(9-11-14)16(22)18-19-17(23)15-7-6-12-20(15)3/h6-12H,4-5H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide?
N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 314.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24979529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).