N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide

C16H15N3O3 — CID 24978887

IUPACN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2ccncc2)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-4-2-3-12(11-14)5-6-15(20)18-19-16(21)13-7-9-17-10-8-13/h2-11H,1H3,(H,18,20)(H,19,21)/b6-5+
InChIKeyQDCUOBMJDZNCTN-AATRIKPKSA-N
MW297.31 g/mol
LogP1.56
Rot. Bonds4

About N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide

N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide (PubChem CID 24978887) 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-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide
PubChem CID24978887
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2ccncc2)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-4-2-3-12(11-14)5-6-15(20)18-19-16(21)13-7-9-17-10-8-13/h2-11H,1H3,(H,18,20)(H,19,21)/b6-5+
InChIKeyQDCUOBMJDZNCTN-AATRIKPKSA-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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide (CID 24978887) is N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide is COc1cccc(/C=C/C(=O)NNC(=O)c2ccncc2)c1.
What is the InChIKey of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
The InChIKey is QDCUOBMJDZNCTN-AATRIKPKSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-14-4-2-3-12(11-14)5-6-15(20)18-19-16(21)13-7-9-17-10-8-13/h2-11H,1H3,(H,18,20)(H,19,21)/b6-5+.
What are the key properties of N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide?
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-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-4-carbohydrazide is sourced from PubChem (CID 24978887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).