N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide

C15H13N3O2 — CID 732151

IUPACN'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1cccnc1
InChIInChI=1S/C15H13N3O2/c19-14(9-8-12-5-2-1-3-6-12)17-18-15(20)13-7-4-10-16-11-13/h1-11H,(H,17,19)(H,18,20)/b9-8+
InChIKeyMLLCJIWNMIBVPL-CMDGGOBGSA-N
MW267.29 g/mol
LogP1.56
Rot. Bonds3

About N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide

N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide (PubChem CID 732151) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide
PubChem CID732151
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1cccnc1
InChIInChI=1S/C15H13N3O2/c19-14(9-8-12-5-2-1-3-6-12)17-18-15(20)13-7-4-10-16-11-13/h1-11H,(H,17,19)(H,18,20)/b9-8+
InChIKeyMLLCJIWNMIBVPL-CMDGGOBGSA-N
XLogP1.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 936
Isoniazid
CID 3767
Nialamide
CID 4472
Iproniazid
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4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Acetylisoniazid
CID 71602
Nicotinohydroxamic acid
CID 71211
Nifenazone
CID 4487
Phenyl-3-pyridinylmethanone
CID 21540

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide (CID 732151) is N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide?
The InChIKey is MLLCJIWNMIBVPL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(9-8-12-5-2-1-3-6-12)17-18-15(20)13-7-4-10-16-11-13/h1-11H,(H,17,19)(H,18,20)/b9-8+.
What are the key properties of N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide?
N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide has a molecular weight of 267.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-phenylprop-2-enoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 732151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).