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

C16H15N3O3 — CID 9332350

IUPACN'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-13-8-5-12(6-9-13)7-10-15(20)18-19-16(21)14-4-2-3-11-17-14/h2-11H,1H3,(H,18,20)(H,19,21)/b10-7+
InChIKeyOCPKBEMWAPTEMK-JXMROGBWSA-N
MW297.31 g/mol
LogP1.56
Rot. Bonds4

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

N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide (PubChem CID 9332350) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
PubChem CID9332350
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H15N3O3/c1-22-13-8-5-12(6-9-13)7-10-15(20)18-19-16(21)14-4-2-3-11-17-14/h2-11H,1H3,(H,18,20)(H,19,21)/b10-7+
InChIKeyOCPKBEMWAPTEMK-JXMROGBWSA-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'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9033515
N-methyl-4-[(E)-3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]prop-1-enyl]benzamide
CID 46556732
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
N'-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 9332990
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
N'-[4-(4-methoxyphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 9332515
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
N'-[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]pyridine-2-carbohydrazide
CID 35076236
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide (CID 9332350) is N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide is COc1ccc(/C=C/C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
The InChIKey is OCPKBEMWAPTEMK-JXMROGBWSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-13-8-5-12(6-9-13)7-10-15(20)18-19-16(21)14-4-2-3-11-17-14/h2-11H,1H3,(H,18,20)(H,19,21)/b10-7+.
What are the key properties of N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide?
N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-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-(4-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 9332350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).