N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide

C13H13BrN4O3 — CID 31598186

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H13BrN4O3/c1-2-21-13-9(4-3-5-15-13)11(19)17-18-12(20)10-6-8(14)7-16-10/h3-7,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyBKUVIRBKDLOOSZ-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.65
Rot. Bonds4

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide (PubChem CID 31598186) has the molecular formula C13H13BrN4O3 and a molecular weight of 353.18 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide
PubChem CID31598186
Molecular FormulaC13H13BrN4O3
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H13BrN4O3/c1-2-21-13-9(4-3-5-15-13)11(19)17-18-12(20)10-6-8(14)7-16-10/h3-7,16H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyBKUVIRBKDLOOSZ-UHFFFAOYSA-N
XLogP1.65
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-methoxypyridine-3-carbohydrazide
CID 46556846
4-bromo-N'-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 39641079
4-bromo-N'-(2,3-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31421337
2-ethoxy-N'-nonan-5-ylpyridine-3-carbohydrazide
CID 42631177
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
2,5-dibromo-N-(2-ethoxy-3-pyridinyl)benzamide
CID 114371185
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
5-bromo-N'-(4-bromo-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 9255864
N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563774

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide (CID 31598186) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide is CCOc1ncccc1C(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide?
The InChIKey is BKUVIRBKDLOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3/c1-2-21-13-9(4-3-5-15-13)11(19)17-18-12(20)10-6-8(14)7-16-10/h3-7,16H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide has a molecular weight of 353.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-2-ethoxypyridine-3-carbohydrazide is sourced from PubChem (CID 31598186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).