5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide

C21H16BrN7O2 — CID 27709879

IUPAC5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cncc(Br)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16BrN7O2/c22-18-10-17(11-23-12-18)21(31)26-25-20(30)16-8-6-14(7-9-16)13-29-27-19(24-28-29)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30)(H,26,31)
InChIKeyBMAHQOFDHWHENM-UHFFFAOYSA-N
MW478.31 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide

5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide (PubChem CID 27709879) has the molecular formula C21H16BrN7O2 and a molecular weight of 478.31 g/mol. Its IUPAC name is 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
PubChem CID27709879
Molecular FormulaC21H16BrN7O2
Molecular Weight478.31 g/mol
Exact Mass477.05
IUPAC Name5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cncc(Br)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H16BrN7O2/c22-18-10-17(11-23-12-18)21(31)26-25-20(30)16-8-6-14(7-9-16)13-29-27-19(24-28-29)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30)(H,26,31)
InChIKeyBMAHQOFDHWHENM-UHFFFAOYSA-N
XLogP2.62
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide (CID 27709879) is 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1cncc(Br)c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide?
The InChIKey is BMAHQOFDHWHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN7O2/c22-18-10-17(11-23-12-18)21(31)26-25-20(30)16-8-6-14(7-9-16)13-29-27-19(24-28-29)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30)(H,26,31).
What are the key properties of 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide?
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide has a molecular weight of 478.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 27709879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).