N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide

C14H14N3O2+ — CID 3771317

IUPACN'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide
SMILESO=C(C[n+]1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(11-17-9-5-2-6-10-17)15-16-14(19)12-7-3-1-4-8-12/h1-10H,11H2,(H-,15,16,18,19)/p+1
InChIKeyVAKOLYKWFHUHLZ-UHFFFAOYSA-O
MW256.29 g/mol
LogP0.44
Rot. Bonds3

About N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide

N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide (PubChem CID 3771317) has the molecular formula C14H14N3O2+ and a molecular weight of 256.29 g/mol. Its IUPAC name is N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide
PubChem CID3771317
Molecular FormulaC14H14N3O2+
Molecular Weight256.29 g/mol
Exact Mass256.11
IUPAC NameN'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide
SMILESO=C(C[n+]1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(11-17-9-5-2-6-10-17)15-16-14(19)12-7-3-1-4-8-12/h1-10H,11H2,(H-,15,16,18,19)/p+1
InChIKeyVAKOLYKWFHUHLZ-UHFFFAOYSA-O
XLogP0.44
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[(2-pyridin-1-ium-1-ylacetyl)amino]thiourea
CID 3864523
azane;1-phenyl-2-pyridin-1-ium-1-ylethanone
CID 175247210
tris(1-phenyl-2-pyridin-1-ium-1-ylethanone);tribromide
CID 174706488
N'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
N'-(2-oxo-2-phenylacetyl)benzohydrazide
CID 12792453
N'-(4,4,4-trifluorobutanoyl)benzohydrazide
CID 171757992
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N'-octanoylbenzohydrazide
CID 4227469
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
2-(4-benzoylpyridin-1-ium-1-yl)-N-phenylacetamide
CID 7529013

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide?
The IUPAC name of N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide (CID 3771317) is N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide.
What is the SMILES notation for N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide?
The canonical SMILES for N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide is O=C(C[n+]1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide?
The InChIKey is VAKOLYKWFHUHLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3O2/c18-13(11-17-9-5-2-6-10-17)15-16-14(19)12-7-3-1-4-8-12/h1-10H,11H2,(H-,15,16,18,19)/p+1.
What are the key properties of N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide?
N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide has a molecular weight of 256.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-1-ium-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 3771317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).