6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide

C21H17N7O3 — CID 24541890

IUPAC6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N7O3/c29-18-11-10-17(12-22-18)21(31)25-24-20(30)16-8-6-14(7-9-16)13-28-26-19(23-27-28)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,29)(H,24,30)(H,25,31)
InChIKeyHBCIWGHIYJYWSS-UHFFFAOYSA-N
MW415.41 g/mol
LogP1.15
Rot. Bonds5

About 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide

6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide (PubChem CID 24541890) has the molecular formula C21H17N7O3 and a molecular weight of 415.41 g/mol. Its IUPAC name is 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
PubChem CID24541890
Molecular FormulaC21H17N7O3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC Name6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N7O3/c29-18-11-10-17(12-22-18)21(31)25-24-20(30)16-8-6-14(7-9-16)13-28-26-19(23-27-28)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,29)(H,24,30)(H,25,31)
InChIKeyHBCIWGHIYJYWSS-UHFFFAOYSA-N
XLogP1.15
TPSA134.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide?
The IUPAC name of 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide (CID 24541890) is 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide?
The InChIKey is HBCIWGHIYJYWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O3/c29-18-11-10-17(12-22-18)21(31)25-24-20(30)16-8-6-14(7-9-16)13-28-26-19(23-27-28)15-4-2-1-3-5-15/h1-12H,13H2,(H,22,29)(H,24,30)(H,25,31).
What are the key properties of 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide?
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide has a molecular weight of 415.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 24541890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).