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

C16H15N3O3 — CID 26641259

IUPACN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-6-2-4-12(10-14)7-8-15(20)18-19-16(21)13-5-3-9-17-11-13/h2-11H,1H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyAAIONIWFYLZZOP-BQYQJAHWSA-N
MW297.31 g/mol
LogP1.56
Rot. Bonds4

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

N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide (PubChem CID 26641259) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
PubChem CID26641259
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-6-2-4-12(10-14)7-8-15(20)18-19-16(21)13-5-3-9-17-11-13/h2-11H,1H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyAAIONIWFYLZZOP-BQYQJAHWSA-N
XLogP1.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
(E)-3-(3-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108924817
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925408
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
CID 174203715
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide (CID 26641259) is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide is COc1cccc(/C=C/C(=O)NNC(=O)c2cccnc2)c1.
What is the InChIKey of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
The InChIKey is AAIONIWFYLZZOP-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-14-6-2-4-12(10-14)7-8-15(20)18-19-16(21)13-5-3-9-17-11-13/h2-11H,1H3,(H,18,20)(H,19,21)/b8-7+.
What are the key properties of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide?
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide has a molecular weight of 297.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 26641259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).