N'-benzylpyridine-2-carbohydrazide;hydrobromide

C13H14BrN3O — CID 163533434

IUPACN'-benzylpyridine-2-carbohydrazide;hydrobromide
SMILESBr.O=C(NNCc1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N3O.BrH/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11;/h1-9,15H,10H2,(H,16,17);1H
InChIKeyDUXDFHSXGBULKE-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.09
Rot. Bonds4

About N'-benzylpyridine-2-carbohydrazide;hydrobromide

N'-benzylpyridine-2-carbohydrazide;hydrobromide (PubChem CID 163533434) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N'-benzylpyridine-2-carbohydrazide;hydrobromide.

Molecular Properties

Compound NameN'-benzylpyridine-2-carbohydrazide;hydrobromide
PubChem CID163533434
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN'-benzylpyridine-2-carbohydrazide;hydrobromide
SMILESBr.O=C(NNCc1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N3O.BrH/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11;/h1-9,15H,10H2,(H,16,17);1H
InChIKeyDUXDFHSXGBULKE-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N-[4-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 106910172
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)pyridine-2-carbohydrazide
CID 9033256
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of N'-benzylpyridine-2-carbohydrazide;hydrobromide?
The IUPAC name of N'-benzylpyridine-2-carbohydrazide;hydrobromide (CID 163533434) is N'-benzylpyridine-2-carbohydrazide;hydrobromide.
What is the SMILES notation for N'-benzylpyridine-2-carbohydrazide;hydrobromide?
The canonical SMILES for N'-benzylpyridine-2-carbohydrazide;hydrobromide is Br.O=C(NNCc1ccccc1)c1ccccn1.
What is the InChIKey of N'-benzylpyridine-2-carbohydrazide;hydrobromide?
The InChIKey is DUXDFHSXGBULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.BrH/c17-13(12-8-4-5-9-14-12)16-15-10-11-6-2-1-3-7-11;/h1-9,15H,10H2,(H,16,17);1H.
What are the key properties of N'-benzylpyridine-2-carbohydrazide;hydrobromide?
N'-benzylpyridine-2-carbohydrazide;hydrobromide has a molecular weight of 308.18 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylpyridine-2-carbohydrazide;hydrobromide is sourced from PubChem (CID 163533434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).