5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide

C13H11BrN4O3 — CID 9077503

IUPAC5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H11BrN4O3/c14-10-5-9(6-15-7-10)13(21)17-16-11(19)8-18-4-2-1-3-12(18)20/h1-7H,8H2,(H,16,19)(H,17,21)
InChIKeyRVMCHNMANROTRA-UHFFFAOYSA-N
MW351.16 g/mol
LogP0.47
Rot. Bonds3

About 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide

5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide (PubChem CID 9077503) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
PubChem CID9077503
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1ccccc1=O)NNC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H11BrN4O3/c14-10-5-9(6-15-7-10)13(21)17-16-11(19)8-18-4-2-1-3-12(18)20/h1-7H,8H2,(H,16,19)(H,17,21)
InChIKeyRVMCHNMANROTRA-UHFFFAOYSA-N
XLogP0.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
CID 9077512
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
5-bromo-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18159243
N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 9077663
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 46525245
4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9078340
N'-[2-(2-oxo-1-pyridinyl)acetyl]-2,2-diphenylacetohydrazide
CID 9077513
N-[4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 9078264
N'-[2-(2-oxo-1-pyridinyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46524104
2-chloro-N-[2-oxo-2-[2-[2-(2-oxo-1-pyridinyl)acetyl]hydrazinyl]ethyl]benzamide
CID 9077775
1-benzyl-3-[(5-bromopyridine-3-carbonyl)amino]thiourea
CID 7977781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide (CID 9077503) is 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide is O=C(Cn1ccccc1=O)NNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is RVMCHNMANROTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c14-10-5-9(6-15-7-10)13(21)17-16-11(19)8-18-4-2-1-3-12(18)20/h1-7H,8H2,(H,16,19)(H,17,21).
What are the key properties of 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide?
5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 351.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 9077503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).