N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide

C12H11BrN4O3 — CID 18120355

IUPACN'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11BrN4O3/c1-17-6-8(13)4-9(17)12(20)16-15-11(19)7-2-3-10(18)14-5-7/h2-6H,1H3,(H,14,18)(H,15,19)(H,16,20)
InChIKeySPLWHTVFCKOMNR-UHFFFAOYSA-N
MW339.15 g/mol
LogP0.55
Rot. Bonds2

About N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 18120355) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
PubChem CID18120355
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11BrN4O3/c1-17-6-8(13)4-9(17)12(20)16-15-11(19)7-2-3-10(18)14-5-7/h2-6H,1H3,(H,14,18)(H,15,19)(H,16,20)
InChIKeySPLWHTVFCKOMNR-UHFFFAOYSA-N
XLogP0.55
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24552605
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 36626321
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
CID 30599169
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036806
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 24533043
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 24533009

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide (CID 18120355) is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is SPLWHTVFCKOMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-17-6-8(13)4-9(17)12(20)16-15-11(19)7-2-3-10(18)14-5-7/h2-6H,1H3,(H,14,18)(H,15,19)(H,16,20).
What are the key properties of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide?
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 339.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-6-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 18120355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).