N-benzylpyridine-3-carbohydrazide;hydrochloride

C13H14ClN3O — CID 173445045

IUPACN-benzylpyridine-3-carbohydrazide;hydrochloride
SMILESCl.NN(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C13H13N3O.ClH/c14-16(10-11-5-2-1-3-6-11)13(17)12-7-4-8-15-9-12;/h1-9H,10,14H2;1H
InChIKeyHLANSDLTKQBIMQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.02
Rot. Bonds3

About N-benzylpyridine-3-carbohydrazide;hydrochloride

N-benzylpyridine-3-carbohydrazide;hydrochloride (PubChem CID 173445045) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-benzylpyridine-3-carbohydrazide;hydrochloride.

Molecular Properties

Compound NameN-benzylpyridine-3-carbohydrazide;hydrochloride
PubChem CID173445045
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-benzylpyridine-3-carbohydrazide;hydrochloride
SMILESCl.NN(Cc1ccccc1)C(=O)c1cccnc1
InChIInChI=1S/C13H13N3O.ClH/c14-16(10-11-5-2-1-3-6-11)13(17)12-7-4-8-15-9-12;/h1-9H,10,14H2;1H
InChIKeyHLANSDLTKQBIMQ-UHFFFAOYSA-N
XLogP2.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
2,2-dimethyl-3-[methyl(pyridin-3-ylmethyl)amino]-1-phenylpropan-1-one
CID 63196149
amino(benzyl)carbamic acid
CID 18704089
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-benzylpyridine-3-carbohydrazide;hydrochloride?
The IUPAC name of N-benzylpyridine-3-carbohydrazide;hydrochloride (CID 173445045) is N-benzylpyridine-3-carbohydrazide;hydrochloride.
What is the SMILES notation for N-benzylpyridine-3-carbohydrazide;hydrochloride?
The canonical SMILES for N-benzylpyridine-3-carbohydrazide;hydrochloride is Cl.NN(Cc1ccccc1)C(=O)c1cccnc1.
What is the InChIKey of N-benzylpyridine-3-carbohydrazide;hydrochloride?
The InChIKey is HLANSDLTKQBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c14-16(10-11-5-2-1-3-6-11)13(17)12-7-4-8-15-9-12;/h1-9H,10,14H2;1H.
What are the key properties of N-benzylpyridine-3-carbohydrazide;hydrochloride?
N-benzylpyridine-3-carbohydrazide;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyridine-3-carbohydrazide;hydrochloride is sourced from PubChem (CID 173445045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).